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

• ChemBase ID: 306890
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c1(c(n(nc1)C)N)c1ccccc1
• Canonical SMILES: Cn1ncc(c1N)c1ccccc1
• InChI: InChI=1S/C10H11N3/c1-13-10(11)9(7-12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
• InChIKey: FPQCXVQVDKKHAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30823-52-0
• MDL Number: MFCD05664143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3070302
• LogD (pH = 7.4): 1.3086753
• Log P: 1.3086963
• Molar Refractivity: 64.0513 cm^3
• Polarizability: 21.024363 Å^3
• Polar Surface Area: 43.84 Å^2