N2-cyclopropyl-N5-[(3-methoxyphenyl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide

• ChemBase ID: 795332
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(nn2c(c1)CN(C(=O)NCc1cc(OC)ccc1)CC2)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)CNC(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C19H23N5O3/c1-27-16-4-2-3-13(9-16)11-20-19(26)23-7-8-24-15(12-23)10-17(22-24)18(25)21-14-5-6-14/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,20,26)(H,21,25)
• InChIKey: JEYJPBRPMUANSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2-cyclopropyl-N5-[(3-methoxyphenyl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide
• IUPAC Traditional name: N2-cyclopropyl-N5-[(3-methoxyphenyl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxamide
• Synonyms: N~2~-cyclopropyl-N~5~-(3-methoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.98534
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.70053583
• LogD (pH = 7.4): 0.70053667
• Log P: 0.7005368
• Molar Refractivity: 111.1473 cm^3
• Polarizability: 37.750496 Å^3
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.88
• LOG S: -2.65
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 5