N-butyl-2-[2-(cyclopentylcarbamoyl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 628252
• Molecular Formular: C19H31N5O2
• Molecular Mass: 361.48174
• Monoisotopic Mass: 361.24777526
• SMILES: c12n(nc(c1)CCC(=O)NC1CCCC1)CCN(C(=O)NCCCC)C2
• Canonical SMILES: CCCCNC(=O)N1CCn2c(C1)cc(n2)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C19H31N5O2/c1-2-3-10-20-19(26)23-11-12-24-17(14-23)13-16(22-24)8-9-18(25)21-15-6-4-5-7-15/h13,15H,2-12,14H2,1H3,(H,20,26)(H,21,25)
• InChIKey: GATKMYZXWJPXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-[2-(cyclopentylcarbamoyl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: N-butyl-2-[2-(cyclopentylcarbamoyl)ethyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: N-butyl-2-[3-(cyclopentylamino)-3-oxopropyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.840729
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2595229
• LogD (pH = 7.4): 1.2595704
• Log P: 1.259571
• Molar Refractivity: 111.7477 cm^3
• Polarizability: 38.710583 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.28
• LOG S: -2.93
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 7