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

• ChemBase ID: 272668
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: n1(c(c(c(n1)C1CC1)C)N)c1ccccc1
• Canonical SMILES: Cc1c(N)n(nc1C1CC1)c1ccccc1
• InChI: InChI=1S/C13H15N3/c1-9-12(10-7-8-10)15-16(13(9)14)11-5-3-2-4-6-11/h2-6,10H,7-8,14H2,1H3
• InChIKey: GAQBJEXMBMICJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11209772
• PubChem SID: 164328578
• PubChem CID: 43159001

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.73778
• LogD (pH = 7.4): 2.743938
• Log P: 2.7440171
• Molar Refractivity: 65.4053 cm^3
• Polarizability: 25.038736 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.294

Product Information

• Purity: 95%