4-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazol-5-amine

• ChemBase ID: 306892
• Molecular Formular: C12H15N3O
• Molecular Mass: 217.267
• Monoisotopic Mass: 217.12151212
• SMILES: c1(c(n(nc1C)C)N)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)nn(c1N)C
• InChI: InChI=1S/C12H15N3O/c1-8-11(12(13)15(2)14-8)9-4-6-10(16-3)7-5-9/h4-7H,13H2,1-3H3
• InChIKey: QAFSLXFLSQXIIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 4-(4-methoxyphenyl)-2,5-dimethylpyrazol-3-amine
• Synonyms: 4-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazol-5-amine

Database IDs

• CAS Number: 1015846-18-0
• MDL Number: MFCD09055260

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.267798
• LogD (pH = 7.4): 1.2822083
• Log P: 1.2823952
• Molar Refractivity: 75.106 cm^3
• Polarizability: 25.268072 Å^3
• Polar Surface Area: 53.07 Å^2