N-(3-methoxy-1,5-dimethyl-1H-pyrazol-4-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 314195
• Molecular Formular: C15H22N6O2
• Molecular Mass: 318.37418
• Monoisotopic Mass: 318.18042397
• SMILES: c1(c(nn(c1C)C)OC)NC(=O)N1CC(c2n[nH]cc2)CCC1
• Canonical SMILES: COc1nn(c(c1NC(=O)N1CCCC(C1)c1n[nH]cc1)C)C
• InChI: InChI=1S/C15H22N6O2/c1-10-13(14(23-3)19-20(10)2)17-15(22)21-8-4-5-11(9-21)12-6-7-16-18-12/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,22)
• InChIKey: RWNQRYYVDNERIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxy-1,5-dimethyl-1H-pyrazol-4-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-methoxy-1,5-dimethylpyrazol-4-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(3-methoxy-1,5-dimethyl-1H-pyrazol-4-yl)-3-(1H-pyrazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.338473
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2500331
• LogD (pH = 7.4): 1.2496579
• Log P: 1.2501342
• Molar Refractivity: 100.142 cm^3
• Polarizability: 32.292667 Å^3
• Polar Surface Area: 88.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.61
• LOG S: -2.04
• Polar Surface Area: 88.07 Å^2
• Rotatable Bonds: 3