3-(3-methoxyphenyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide

• ChemBase ID: 594103
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(cc(n[nH]1)c1cc(OC)ccc1)C(=O)N(CCCc1n(ccn1)C)C
• Canonical SMILES: COc1cccc(c1)c1n[nH]c(c1)C(=O)N(CCCc1nccn1C)C
• InChI: InChI=1S/C19H23N5O2/c1-23-11-9-20-18(23)8-5-10-24(2)19(25)17-13-16(21-22-17)14-6-4-7-15(12-14)26-3/h4,6-7,9,11-13H,5,8,10H2,1-3H3,(H,21,22)
• InChIKey: ZMUZIOIJSJASIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: 5-(3-methoxyphenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2H-pyrazole-3-carboxamide
• Synonyms: 3-(3-methoxyphenyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.336362
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.065707
• LogD (pH = 7.4): 1.7559136
• Log P: 1.7993473
• Molar Refractivity: 100.9676 cm^3
• Polarizability: 38.97564 Å^3
• Polar Surface Area: 76.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.18
• LOG S: -3.24
• Polar Surface Area: 76.04 Å^2
• Rotatable Bonds: 7