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

• ChemBase ID: 312492
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: c1(c([nH]nc1)N)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1cn[nH]c1N
• InChI: InChI=1S/C10H11N3O/c1-14-8-4-2-3-7(5-8)9-6-12-13-10(9)11/h2-6H,1H3,(H3,11,12,13)
• InChIKey: LYOAJAJFWJZMIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 93690-16-5
• MDL Number: MFCD11168887

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0250918
• LogD (pH = 7.4): 1.0273204
• Log P: 1.027349
• Molar Refractivity: 55.2985 cm^3
• Polarizability: 21.745077 Å^3
• Polar Surface Area: 63.93 Å^2