2,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

• ChemBase ID: 602949
• Molecular Formular: C17H19N5O3S
• Molecular Mass: 373.42946
• Monoisotopic Mass: 373.12086049
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)NCCc1ccc(S(=O)(=O)N)cc1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C17H19N5O3S/c1-11-9-16-20-15(10-12(2)22(16)21-11)17(23)19-8-7-13-3-5-14(6-4-13)26(18,24)25/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)(H2,18,24,25)
• InChIKey: FKDPBEXMANOVTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2,7-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• Synonyms: N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.223764
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0630382
• LogD (pH = 7.4): 1.0626566
• Log P: 1.0632359
• Molar Refractivity: 108.6434 cm^3
• Polarizability: 37.3603 Å^3
• Polar Surface Area: 119.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.41
• LOG S: -2.27
• Polar Surface Area: 119.45 Å^2
• Rotatable Bonds: 5