N-cyclopropyl-5-(2,5-dihydro-1H-pyrrole-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 500340
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c1(nn2c(c1)CN(C(=O)C1NCC=C1)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)NC1CC1)C1NCC=C1
• InChI: InChI=1S/C15H19N5O2/c21-14(17-10-3-4-10)13-8-11-9-19(6-7-20(11)18-13)15(22)12-2-1-5-16-12/h1-2,8,10,12,16H,3-7,9H2,(H,17,21)
• InChIKey: CMCNOEIWYJAQHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(2,5-dihydro-1H-pyrrole-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(2,5-dihydro-1H-pyrrole-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-(2,5-dihydro-1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166566
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7727294
• LogD (pH = 7.4): -2.402877
• Log P: -0.68029803
• Molar Refractivity: 92.7273 cm^3
• Polarizability: 30.586668 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.97
• LOG S: -1.88
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3