N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 373117
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(C(=O)NC2CCN(Cc3ccncc3)CC2)c[nH]nc1
• Canonical SMILES: O=C(c1c[nH]nc1)NC1CCN(CC1)Cc1ccncc1
• InChI: InChI=1S/C15H19N5O/c21-15(13-9-17-18-10-13)19-14-3-7-20(8-4-14)11-12-1-5-16-6-2-12/h1-2,5-6,9-10,14H,3-4,7-8,11H2,(H,17,18)(H,19,21)
• InChIKey: RUAZJMIVGAJAIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
• Synonyms: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.016123
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.564181
• LogD (pH = 7.4): -0.80373234
• Log P: -0.4315006
• Molar Refractivity: 81.6273 cm^3
• Polarizability: 30.519394 Å^3
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.56
• LOG S: -0.81
• Polar Surface Area: 73.91 Å^2
• Rotatable Bonds: 4