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

• ChemBase ID: 241335
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1(ncc(c1C)N)c1ccccc1
• Canonical SMILES: Nc1cnn(c1C)c1ccccc1
• InChI: InChI=1S/C10H11N3/c1-8-10(11)7-12-13(8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
• InChIKey: WKNBWNUOHCWCAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16042711
• PubChem SID: 164297245
• PubChem CID: 23088362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4296567
• LogD (pH = 7.4): 1.4296992
• Log P: 1.4296997
• Molar Refractivity: 54.2698 cm^3
• Polarizability: 20.324007 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%