3-[5-(5-amino-1H-pyrazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]-N-cyclopentylpropanamide

• ChemBase ID: 764386
• Molecular Formular: C18H25N7O2
• Molecular Mass: 371.4368
• Monoisotopic Mass: 371.20697308
• SMILES: c1(cc([nH]n1)N)C(=O)N1Cc2n(nc(c2)CCC(=O)NC2CCCC2)CC1
• Canonical SMILES: O=C(NC1CCCC1)CCc1cc2n(n1)CCN(C2)C(=O)c1n[nH]c(c1)N
• InChI: InChI=1S/C18H25N7O2/c19-16-10-15(21-22-16)18(27)24-7-8-25-14(11-24)9-13(23-25)5-6-17(26)20-12-3-1-2-4-12/h9-10,12H,1-8,11H2,(H,20,26)(H3,19,21,22)
• InChIKey: QRNWETKXANZECA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(5-amino-1H-pyrazole-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]-N-cyclopentylpropanamide
• IUPAC Traditional name: 3-[5-(5-amino-1H-pyrazole-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]-N-cyclopentylpropanamide
• Synonyms: 3-{5-[(5-amino-1H-pyrazol-3-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}-N-cyclopentylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.62937
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.15000005
• LogD (pH = 7.4): -0.15013598
• Log P: -0.14988479
• Molar Refractivity: 112.2403 cm^3
• Polarizability: 37.589264 Å^3
• Polar Surface Area: 121.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -2.08
• LOG S: -1.44
• Polar Surface Area: 121.93 Å^2
• Rotatable Bonds: 5