3-Amino-4-phenyl-1H-pyrazole - ≥97% , CAS No.5591-70-8

CAS: 5591-70-8 Cat. No.: A170987 Molecular Weight: 159.19 EC Number: 676-611-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-amino-4-phenylpyrazole | 3-amino-4-phenyl-pyrazole | FT-0680447 | A831698 | HMS2596A07 | MFCD00231797 | 5-AMINO-4-PHENYL-1H-PYRAZOLE | QEHKQNYBBLCFIJ-UHFFFAOYSA-N | Z57912392 | F3250-0605 | HMS3381C09 | BRN 0742774 | EN300-187268 | BB 0218885 | SY237877
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
A170987-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$9.90

$14.90
Save $5.00 (33.56%)
1g
A170987-1g
3

$18.90

$28.90
Save $10.00 (34.60%)
5g
A170987-5g
3

$69.90

$104.90
Save $35.00 (33.37%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-amino-4-phenylpyrazole | 3-amino-4-phenyl-pyrazole | FT-0680447 | A831698 | HMS2596A07 | MFCD00231797 | 5-AMINO-4-PHENYL-1H-PYRAZOLE | QEHKQNYBBLCFIJ-UHFFFAOYSA-N | Z57912392 | F3250-0605 | HMS3381C09 | BRN 0742774 | EN300-187268 | BB 0218885 | SY237877
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid504755407
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504755407
Canonical SmilesC1=CC=C(C=C1)C2=C(NN=C2)N
IUPAC Name4-phenyl-1H-pyrazol-5-amine
InChIKeyQEHKQNYBBLCFIJ-UHFFFAOYSA-N
INCHI1S/C9H9N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
Isomeric SMILES C1=CC=C(C=C1)C2=C(NN=C2)N
WGK Germany 3
Molecular Weight 159.19
Reaxy-Rn 4046
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4046&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
A 172 (535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW48 (312 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
B2318632Certificate of AnalysisDec 10, 2025 A170987
B2318752Certificate of AnalysisDec 10, 2025 A170987
I2509005Certificate of AnalysisJan 09, 2023 A170987
Chemical and Physical Properties
SensitivityLight sensitive;Heat sensitive; Moisture sensitive
Melt Point(°C)176-180 °C
Molecular Weight159.190 g/mol
XLogP31.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass159.08 Da
Monoisotopic Mass159.08 Da
Topological Polar Surface Area54.700 Ų
Heavy Atom Count12
Formal Charge0
Complexity143.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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