N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 340921
• Molecular Formular: C19H23FN4O
• Molecular Mass: 342.4105232
• Monoisotopic Mass: 342.1855896
• SMILES: c1(nn2c(c1)CNCC2)C(=O)N[C@@H]1[C@H](Cc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)C[C@@H]1CCC[C@@H]1NC(=O)c1nn2c(c1)CNCC2
• InChI: InChI=1S/C19H23FN4O/c20-15-6-4-13(5-7-15)10-14-2-1-3-17(14)22-19(25)18-11-16-12-21-8-9-24(16)23-18/h4-7,11,14,17,21H,1-3,8-10,12H2,(H,22,25)/t14-,17-/m0/s1
• InChIKey: OIGFFQZNTYPASK-YOEHRIQHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[(1S*,2S*)-2-(4-fluorobenzyl)cyclopentyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.164736
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8996937
• LogD (pH = 7.4): 2.3912907
• Log P: 2.608847
• Molar Refractivity: 105.5182 cm^3
• Polarizability: 35.80203 Å^3
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.42
• LOG S: -3.76
• Polar Surface Area: 58.95 Å^2
• Rotatable Bonds: 4