1-phenyl-1H-pyrazol-5-amine

• ChemBase ID: 268239
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1(c(ccn1)N)c1ccccc1
• Canonical SMILES: Nc1ccnn1c1ccccc1
• InChI: InChI=1S/C9H9N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,10H2
• InChIKey: ZVNYYNAAEVZNDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-1H-pyrazol-5-amine
• IUPAC Traditional name: pyrazole, 5-amino-1-phenyl-
• Synonyms: 1-phenyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD00020734
• PubChem SID: 164324149
• PubChem CID: 70006

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3178307
• LogD (pH = 7.4): 1.3194093
• Log P: 1.3194294
• Molar Refractivity: 48.3734 cm^3
• Polarizability: 18.556068 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.412

Product Information

• Purity: 95%