N-[cyclopropyl(4-methoxyphenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

• ChemBase ID: 739897
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(c([nH]nc1C)C)CCC(=O)NC(C1CC1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(C1CC1)NC(=O)CCc1c(C)n[nH]c1C
• InChI: InChI=1S/C19H25N3O2/c1-12-17(13(2)22-21-12)10-11-18(23)20-19(14-4-5-14)15-6-8-16(24-3)9-7-15/h6-9,14,19H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,22)
• InChIKey: JMPNZCCBEHVUND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(4-methoxyphenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
• IUPAC Traditional name: N-[cyclopropyl(4-methoxyphenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
• Synonyms: N-[cyclopropyl(4-methoxyphenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.941392
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5111313
• LogD (pH = 7.4): 2.5145147
• Log P: 2.5145578
• Molar Refractivity: 94.8021 cm^3
• Polarizability: 36.13627 Å^3
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.51
• LOG S: -3.73
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 7