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

• ChemBase ID: 606096
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: n12c(cc(n1)CCC(=O)NC1CC1)CN(CC2)CCC(c1ccccc1)C
• Canonical SMILES: O=C(NC1CC1)CCc1nn2c(c1)CN(CC2)CCC(c1ccccc1)C
• InChI: InChI=1S/C22H30N4O/c1-17(18-5-3-2-4-6-18)11-12-25-13-14-26-21(16-25)15-20(24-26)9-10-22(27)23-19-7-8-19/h2-6,15,17,19H,7-14,16H2,1H3,(H,23,27)
• InChIKey: SPTZHIBTBYCUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.39336
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.44352752
• LogD (pH = 7.4): 2.1627493
• Log P: 2.6742318
• Molar Refractivity: 119.3447 cm^3
• Polarizability: 41.789906 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.82
• LOG S: -3.43
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8