3-Amino-5-phenylpyrazole - ≥98% , CAS No.1572-10-7

CAS: 1572-10-7 Cat. No.: A151515 Molecular Weight: 159.19 Beilstein Registry Number: 25(4)2617 EC Number: 626-099-6

GRADE & PURITY ≥98%

Synonyms

BBL013022 | EN300-07991 | F79792 | FT-0619995 | HY-W041232 | 1H-Pyrazol-3-amine, 5-phenyl- | F3250-0709 | J-513033 | 4-25-00-02617 (Beilstein Handbook Reference) | Z56953033 | 3-Phenyl-1H-pyrazol-5-amine | AA-0871 | AM20030062 | Emylcamatum [INN-Latin] |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-Amino-5-phenylpyrazole ((3-phenyl-1H-pyrazol-5-amine) may be used in the synthesis of the following: · Urea derivatives by reaction with azido(6-(benzofuran-2-yl)-2-methylpyridin-3-yl) methanone. · 2-Mercaptoacetamide analogs by treating with thioglycolic acid. · 3-(Substituentpyrimidayl)-5,6-benzocoumarins by treating with 3-(2′-formyl-1′-chlorovinyl)-5,6-benzocoumarin. · Substituted 2,7-diphenylpyrazolo[1,5-a]pyrimidine-5-carboxylic esters by reacting with substituted β-diketo esters. · N-ethoxycarbonylthiourea derivative by reacting with ethoxycarbonyl isothiocyanate. · Heterobiaryl pyrazolo[3,4-b]pyridines by reacting with indole-3-carboxaldehyde.

Specifications

Synonyms

BBL013022 | EN300-07991 | F79792 | FT-0619995 | HY-W041232 | 1H-Pyrazol-3-amine, 5-phenyl- | F3250-0709 | J-513033 | 4-25-00-02617 (Beilstein Handbook Reference) | Z56953033 | 3-Phenyl-1H-pyrazol-5-amine | AA-0871 | AM20030062 | Emylcamatum [INN-Latin] |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757086
• Canonical Smiles: C1=CC=C(C=C1)C2=CC(=NN2)N
• IUPAC Name: 5-phenyl-1H-pyrazol-3-amine
• InChIKey: PWSZRRFDVPMZGM-UHFFFAOYSA-N
• INCHI: 1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=NN2)N
• WGK Germany: 3
• RTECS: UQ6109000
• Molecular Weight: 159.19
• Beilstein: 25(4)2617
• Reaxy-Rn: 4947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

PTR1 Pteridine reductase 1 (345 Activities)

Discover Target: PTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Boil Point(°C): 440℃
• Melt Point(°C): 126 °C
• Molecular Weight: 159.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.08 Da
• Monoisotopic Mass: 159.08 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1