N-cyclohexyl-1-(propan-2-yl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide

• ChemBase ID: 740101
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(nn(cc1)C(C)C)C(=O)N(Cc1ccncc1)C1CCCCC1
• Canonical SMILES: O=C(N(C1CCCCC1)Cc1ccncc1)c1ccn(n1)C(C)C
• InChI: InChI=1S/C19H26N4O/c1-15(2)23-13-10-18(21-23)19(24)22(17-6-4-3-5-7-17)14-16-8-11-20-12-9-16/h8-13,15,17H,3-7,14H2,1-2H3
• InChIKey: QWZOGCQNCUDWGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1-(propan-2-yl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-1-isopropyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
• Synonyms: N-cyclohexyl-1-isopropyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0548043
• LogD (pH = 7.4): 3.1627834
• Log P: 3.1644027
• Molar Refractivity: 106.0985 cm^3
• Polarizability: 36.27537 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.41
• LOG S: -1.49
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5