N-cyclopropyl-5-(1H-imidazol-4-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 513663
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c1(nn2c(c1)CN(Cc1nc[nH]c1)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)Cc1c[nH]cn1)NC1CC1
• InChI: InChI=1S/C14H18N6O/c21-14(17-10-1-2-10)13-5-12-8-19(3-4-20(12)18-13)7-11-6-15-9-16-11/h5-6,9-10H,1-4,7-8H2,(H,15,16)(H,17,21)
• InChIKey: IGAJWKWJMGVHMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(1H-imidazol-4-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(1H-imidazol-4-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-(1H-imidazol-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.885201
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9533023
• LogD (pH = 7.4): -0.3238344
• Log P: -0.29581496
• Molar Refractivity: 89.2721 cm^3
• Polarizability: 29.296633 Å^3
• Polar Surface Area: 78.84 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: -0.52
• LOG S: -2.16
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 4