N,2,5,7-tetramethyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 540543
• Molecular Formular: C21H22N6O
• Molecular Mass: 374.43898
• Monoisotopic Mass: 374.18550935
• SMILES: c12c(c(nn1c(cc(n2)C)C)C)C(=O)N(Cc1ccc(n2nccc2)cc1)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(c(n2)C)C(=O)N(Cc1ccc(cc1)n1cccn1)C
• InChI: InChI=1S/C21H22N6O/c1-14-12-15(2)27-20(23-14)19(16(3)24-27)21(28)25(4)13-17-6-8-18(9-7-17)26-11-5-10-22-26/h5-12H,13H2,1-4H3
• InChIKey: ZQFBSIOUZLTPTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,5,7-tetramethyl-N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N,2,5,7-tetramethyl-N-{[4-(pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N,2,5,7-tetramethyl-N-[4-(1H-pyrazol-1-yl)benzyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.223449
• LogD (pH = 7.4): 2.223557
• Log P: 2.2235584
• Molar Refractivity: 119.9524 cm^3
• Polarizability: 40.86612 Å^3
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.82
• LOG S: -2.63
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4