5-acetyl-N-butyl-N-(furan-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 350397
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(nn2c(c1)CN(C(=O)C)CC2)C(=O)N(Cc1occc1)CCCC
• Canonical SMILES: CCCCN(C(=O)c1nn2c(c1)CN(CC2)C(=O)C)Cc1ccco1
• InChI: InChI=1S/C18H24N4O3/c1-3-4-7-21(13-16-6-5-10-25-16)18(24)17-11-15-12-20(14(2)23)8-9-22(15)19-17/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3
• InChIKey: NKVWDHWHDYGOIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1103338
• LogD (pH = 7.4): 1.1103346
• Log P: 1.1103346
• Molar Refractivity: 105.0607 cm^3
• Polarizability: 35.372288 Å^3
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.83
• LOG S: -2.42
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 6