N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

• ChemBase ID: 356068
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c1(c(n[nH]c1)c1cc(OC)ccc1)C(=O)NCCCc1c([nH]nc1C)C
• Canonical SMILES: COc1cccc(c1)c1n[nH]cc1C(=O)NCCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C19H23N5O2/c1-12-16(13(2)23-22-12)8-5-9-20-19(25)17-11-21-24-18(17)14-6-4-7-15(10-14)26-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
• InChIKey: LKUZPZIKSWMBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.761859
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.3164768
• LogD (pH = 7.4): 2.3180559
• Log P: 2.3199692
• Molar Refractivity: 102.3451 cm^3
• Polarizability: 38.890102 Å^3
• Polar Surface Area: 95.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.39
• LOG S: -3.82
• Polar Surface Area: 95.69 Å^2
• Rotatable Bonds: 7