N-cyclopentyl-3-[5-(2-phenylethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 541820
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: n12c(cc(n1)CCC(=O)NC1CCCC1)CN(CC2)CCc1ccccc1
• Canonical SMILES: O=C(NC1CCCC1)CCc1nn2c(c1)CN(CC2)CCc1ccccc1
• InChI: InChI=1S/C22H30N4O/c27-22(23-19-8-4-5-9-19)11-10-20-16-21-17-25(14-15-26(21)24-20)13-12-18-6-2-1-3-7-18/h1-3,6-7,16,19H,4-5,8-15,17H2,(H,23,27)
• InChIKey: SVRNIIWYDANFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-[5-(2-phenylethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopentyl-3-[5-(2-phenylethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopentyl-3-[5-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.5200205
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.62937856
• LogD (pH = 7.4): 2.340839
• Log P: 2.8317814
• Molar Refractivity: 119.3971 cm^3
• Polarizability: 41.789978 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.06
• LOG S: -3.63
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7