N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-propyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 607066
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: c1(C(=O)N(C2CC2)Cc2cc3c([nH]cc3)cc2)[nH]nc(c1)CCC
• Canonical SMILES: CCCc1n[nH]c(c1)C(=O)N(C1CC1)Cc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C19H22N4O/c1-2-3-15-11-18(22-21-15)19(24)23(16-5-6-16)12-13-4-7-17-14(10-13)8-9-20-17/h4,7-11,16,20H,2-3,5-6,12H2,1H3,(H,21,22)
• InChIKey: FYKIWNYCMFQQIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-propyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-5-propyl-2H-pyrazole-3-carboxamide
• Synonyms: N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3-propyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.7600565
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.060554
• LogD (pH = 7.4): 3.058851
• Log P: 3.0606978
• Molar Refractivity: 95.2244 cm^3
• Polarizability: 36.85872 Å^3
• Polar Surface Area: 64.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.92
• LOG S: -3.19
• Polar Surface Area: 64.78 Å^2
• Rotatable Bonds: 6