N-{2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N,1-dimethyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 505304
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N(Cc1c2c(n[nH]1)CCC2)C
• Canonical SMILES: CN(C(=O)c1cnn2c1n(C)cc2)Cc1[nH]nc2c1CCC2
• InChI: InChI=1S/C15H18N6O/c1-19-6-7-21-14(19)11(8-16-21)15(22)20(2)9-13-10-4-3-5-12(10)17-18-13/h6-8H,3-5,9H2,1-2H3,(H,17,18)
• InChIKey: PWMHJZDLSLLTIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N,1-dimethyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-{2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethyl}-N,1-dimethylpyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N,1-dimethyl-N-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.661697
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2128149
• LogD (pH = 7.4): 1.2135841
• Log P: 1.2135938
• Molar Refractivity: 94.158 cm^3
• Polarizability: 30.34611 Å^3
• Polar Surface Area: 71.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.39
• LOG S: -1.7
• Polar Surface Area: 71.22 Å^2
• Rotatable Bonds: 3