N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H12ClF6N5O3S — CID 160687651

IUPACN-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C21H12ClF6N5O3S/c22-13-6-5-12(37(29,35)36)7-15(13)31-19(34)16-9-18-30-14(8-17(21(26,27)28)33(18)32-16)10-1-3-11(4-2-10)20(23,24)25/h1-9H,(H,31,34)(H2,29,35,36)
InChIKeyROZBKSXENQPNBL-UHFFFAOYSA-N
MW563.87 g/mol
LogP4.99
Rot. Bonds4

About N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 160687651) has the molecular formula C21H12ClF6N5O3S and a molecular weight of 563.87 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID160687651
Molecular FormulaC21H12ClF6N5O3S
Molecular Weight563.87 g/mol
Exact Mass563.03
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C21H12ClF6N5O3S/c22-13-6-5-12(37(29,35)36)7-15(13)31-19(34)16-9-18-30-14(8-17(21(26,27)28)33(18)32-16)10-1-3-11(4-2-10)20(23,24)25/h1-9H,(H,31,34)(H2,29,35,36)
InChIKeyROZBKSXENQPNBL-UHFFFAOYSA-N
XLogP4.99
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.87
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451686
N-(2,3-dichlorophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1015607
5-(3,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5123875
5-(3,4-dichlorophenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111316
5-(4-chlorophenyl)-N-(2-chloro-3-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113970
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1370414
N-(2-bromo-4,6-difluorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3124939
5-(4-bromophenyl)-N-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111207
5-(3,4-dichlorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871006
N-(2-chloro-3-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1110998
5-(4-methylphenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038221
N-(3-acetylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113984

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 160687651) is N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3n2)c1.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ROZBKSXENQPNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF6N5O3S/c22-13-6-5-12(37(29,35)36)7-15(13)31-19(34)16-9-18-30-14(8-17(21(26,27)28)33(18)32-16)10-1-3-11(4-2-10)20(23,24)25/h1-9H,(H,31,34)(H2,29,35,36).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 563.87 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 160687651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).