3-cyclohexyl-N-[1-(pyrazin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 791593
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: c1(C(=O)NC(Cc2nccnc2)C)c(n[nH]c1)C1CCCCC1
• Canonical SMILES: CC(Cc1nccnc1)NC(=O)c1c[nH]nc1C1CCCCC1
• InChI: InChI=1S/C17H23N5O/c1-12(9-14-10-18-7-8-19-14)21-17(23)15-11-20-22-16(15)13-5-3-2-4-6-13/h7-8,10-13H,2-6,9H2,1H3,(H,20,22)(H,21,23)
• InChIKey: JQARXZWKCBCZDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-N-[1-(pyrazin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 3-cyclohexyl-N-[1-(pyrazin-2-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
• Synonyms: 3-cyclohexyl-N-[1-methyl-2-(2-pyrazinyl)ethyl]-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.320124
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6206844
• LogD (pH = 7.4): 1.6202873
• Log P: 1.6208065
• Molar Refractivity: 88.409 cm^3
• Polarizability: 33.54817 Å^3
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.76
• LOG S: -2.99
• Polar Surface Area: 83.56 Å^2
• Rotatable Bonds: 5