1-(4-Methoxybenzyl)-1H-pyrazol-5-amine - ≥95% , CAS No.3528-45-8

CAS: 3528-45-8 Cat. No.: H708592 Molecular Weight: 203.25 EC Number: 845-273-4 PubChem CID: 3161262

GRADE & PURITY ≥95%

Synonyms

5-Amino-1-(4-methoxybenzyl)pyrazole | 5-Amino-1-(4-methoxybenzyl)-1H-pyrazole | 1-(4-Methoxybenzyl)-1H-pyrazol-5-amine | 2-(4-Methoxy-benzyl)-2H-pyrazol-3-ylamine | 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

5-Amino-1-(4-methoxybenzyl)pyrazole | 5-Amino-1-(4-methoxybenzyl)-1H-pyrazole | 1-(4-Methoxybenzyl)-1H-pyrazol-5-amine | 2-(4-Methoxy-benzyl)-2H-pyrazol-3-ylamine | 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528754086
• Canonical Smiles: COC1=CC=C(C=C1)CN2C(=CC=N2)N
• IUPAC Name: 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine
• InChIKey: JEBIFRSQWFZFMT-UHFFFAOYSA-N
• INCHI: 1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)CN2C(=CC=N2)N
• PubChem CID: 3161262
• Molecular Weight: 203.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 203.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.106 Da
• Monoisotopic Mass: 203.106 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 192.000
• 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