5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H19F3N4O3S — CID 1361253

IUPAC5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4SC)cc3n2)cc1OC
InChIInChI=1S/C23H19F3N4O3S/c1-32-17-9-8-13(10-18(17)33-2)15-11-20(23(24,25)26)30-21(27-15)12-16(29-30)22(31)28-14-6-4-5-7-19(14)34-3/h4-12H,1-3H3,(H,28,31)
InChIKeyNHKPSVZOKWCDLL-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.41
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1361253) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1361253
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4SC)cc3n2)cc1OC
InChIInChI=1S/C23H19F3N4O3S/c1-32-17-9-8-13(10-18(17)33-2)15-11-20(23(24,25)26)30-21(27-15)12-16(29-30)22(31)28-14-6-4-5-7-19(14)34-3/h4-12H,1-3H3,(H,28,31)
InChIKeyNHKPSVZOKWCDLL-UHFFFAOYSA-N
XLogP5.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1361253) is 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4SC)cc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NHKPSVZOKWCDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-32-17-9-8-13(10-18(17)33-2)15-11-20(23(24,25)26)30-21(27-15)12-16(29-30)22(31)28-14-6-4-5-7-19(14)34-3/h4-12H,1-3H3,(H,28,31).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1361253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).