N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H14F6N4O3S — CID 11533818

IUPACN-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
InChIInChI=1S/C22H14F6N4O3S/c1-36(34,35)15-4-2-3-14(9-15)30-20(33)16-11-29-32-18(22(26,27)28)10-17(31-19(16)32)12-5-7-13(8-6-12)21(23,24)25/h2-11H,1H3,(H,30,33)
InChIKeyLIKYZZFTZNNXNA-UHFFFAOYSA-N
MW528.43 g/mol
LogP5.09
Rot. Bonds4

About N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11533818) has the molecular formula C22H14F6N4O3S and a molecular weight of 528.43 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11533818
Molecular FormulaC22H14F6N4O3S
Molecular Weight528.43 g/mol
Exact Mass528.07
IUPAC NameN-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1
InChIInChI=1S/C22H14F6N4O3S/c1-36(34,35)15-4-2-3-14(9-15)30-20(33)16-11-29-32-18(22(26,27)28)10-17(31-19(16)32)12-5-7-13(8-6-12)21(23,24)25/h2-11H,1H3,(H,30,33)
InChIKeyLIKYZZFTZNNXNA-UHFFFAOYSA-N
XLogP5.09
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-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 N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11533818) is N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LIKYZZFTZNNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O3S/c1-36(34,35)15-4-2-3-14(9-15)30-20(33)16-11-29-32-18(22(26,27)28)10-17(31-19(16)32)12-5-7-13(8-6-12)21(23,24)25/h2-11H,1H3,(H,30,33).
What are the key properties of N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 528.43 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11533818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).