3-chloro-N,6-dimethyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 535437
• Molecular Formular: C19H17ClN6O
• Molecular Mass: 380.83088
• Monoisotopic Mass: 380.11523687
• SMILES: c1(c(c2n(n1)cc(cn2)C)Cl)C(=O)N(Cc1cn(nc1)c1ccccc1)C
• Canonical SMILES: Cc1cnc2n(c1)nc(c2Cl)C(=O)N(Cc1cnn(c1)c1ccccc1)C
• InChI: InChI=1S/C19H17ClN6O/c1-13-8-21-18-16(20)17(23-26(18)10-13)19(27)24(2)11-14-9-22-25(12-14)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
• InChIKey: GDTMQSSKZAVELZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N,6-dimethyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: 3-chloro-N,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: 3-chloro-N,6-dimethyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2645416
• LogD (pH = 7.4): 3.2645726
• Log P: 3.264573
• Molar Refractivity: 115.0937 cm^3
• Polarizability: 39.288162 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: 1.42
• LOG S: -3.19
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4