4-methyl-1-phenyl-1H-pyrazol-5-amine

• ChemBase ID: 236363
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1(c(c(cn1)C)N)c1ccccc1
• Canonical SMILES: Cc1cnn(c1N)c1ccccc1
• InChI: InChI=1S/C10H11N3/c1-8-7-12-13(10(8)11)9-5-3-2-4-6-9/h2-7H,11H2,1H3
• InChIKey: MSLGMLSSZZGBPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-phenyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 4-methyl-2-phenylpyrazol-3-amine
• Synonyms: 4-methyl-1-phenyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD14657258
• PubChem SID: 164292273
• PubChem CID: 61393325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8311696
• LogD (pH = 7.4): 1.8328296
• Log P: 1.8328508
• Molar Refractivity: 53.4146 cm^3
• Polarizability: 20.322203 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%