N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide

• ChemBase ID: 547078
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c1(n[nH]c2c1CCC2)C(=O)NCc1n(cnc1)CCOC
• Canonical SMILES: COCCn1cncc1CNC(=O)c1n[nH]c2c1CCC2
• InChI: InChI=1S/C14H19N5O2/c1-21-6-5-19-9-15-7-10(19)8-16-14(20)13-11-3-2-4-12(11)17-18-13/h7,9H,2-6,8H2,1H3,(H,16,20)(H,17,18)
• InChIKey: AQYIEWXRGPKNHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• IUPAC Traditional name: N-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• Synonyms: N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.019146
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.25992003
• LogD (pH = 7.4): 0.18062903
• Log P: 0.21208048
• Molar Refractivity: 79.6463 cm^3
• Polarizability: 29.061815 Å^3
• Polar Surface Area: 84.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.99
• LOG S: -1.77
• Polar Surface Area: 84.83 Å^2
• Rotatable Bonds: 6