N,5,7-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 428092
• Molecular Formular: C21H25N5O
• Molecular Mass: 363.4561
• Monoisotopic Mass: 363.20591045
• SMILES: c12c(C(=O)N(CC3CN(c4ccccc4)CC3)C)cnn1c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)C(=O)N(CC1CCN(C1)c1ccccc1)C
• InChI: InChI=1S/C21H25N5O/c1-15-11-16(2)26-20(23-15)19(12-22-26)21(27)24(3)13-17-9-10-25(14-17)18-7-5-4-6-8-18/h4-8,11-12,17H,9-10,13-14H2,1-3H3
• InChIKey: BJNUDXZKUDNZFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,7-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N,5,7-trimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N,5,7-trimethyl-N-[(1-phenyl-3-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1058934
• LogD (pH = 7.4): 2.2551343
• Log P: 2.2574117
• Molar Refractivity: 118.4544 cm^3
• Polarizability: 39.81097 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.5
• LOG S: -2.28
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4