1-(2-methoxyphenyl)-1H-pyrazol-3-amine

• ChemBase ID: 244013
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1(nc(cc1)N)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1n1ccc(n1)N
• InChI: InChI=1S/C10H11N3O/c1-14-9-5-3-2-4-8(9)13-7-6-10(11)12-13/h2-7H,1H3,(H2,11,12)
• InChIKey: CUPRXJXNINCZDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17281997
• PubChem SID: 164299923
• PubChem CID: 17939944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.66461
• LogD (pH = 7.4): 1.6668954
• Log P: 1.6669246
• Molar Refractivity: 55.8968 cm^3
• Polarizability: 21.055836 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.4

Product Information

• Purity: 95%