N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19ClF6N6O3S2 — CID 11997756

IUPACN-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCNS(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1
InChIInChI=1S/C23H19ClF6N6O3S2/c1-35(2)8-7-32-41(38,39)18-10-16(19(24)40-18)34-21(37)14-11-31-36-17(23(28,29)30)9-15(33-20(14)36)12-3-5-13(6-4-12)22(25,26)27/h3-6,9-11,32H,7-8H2,1-2H3,(H,34,37)
InChIKeyKSCCQPATLFDHNU-UHFFFAOYSA-N
MW641.02 g/mol
LogP5.24
Rot. Bonds8

About N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11997756) has the molecular formula C23H19ClF6N6O3S2 and a molecular weight of 641.02 g/mol. Its IUPAC name is N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11997756
Molecular FormulaC23H19ClF6N6O3S2
Molecular Weight641.02 g/mol
Exact Mass640.06
IUPAC NameN-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCNS(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1
InChIInChI=1S/C23H19ClF6N6O3S2/c1-35(2)8-7-32-41(38,39)18-10-16(19(24)40-18)34-21(37)14-11-31-36-17(23(28,29)30)9-15(33-20(14)36)12-3-5-13(6-4-12)22(25,26)27/h3-6,9-11,32H,7-8H2,1-2H3,(H,34,37)
InChIKeyKSCCQPATLFDHNU-UHFFFAOYSA-N
XLogP5.24
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.02
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-chloro-5-(1,3-dihydroxypropan-2-ylsulfamoyl)thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86607118
N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11997909
N-[2-chloro-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11997906
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3123077
N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457731
5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457724
N-(2,4-difluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298807
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2173697
N-[2-[benzyl(methyl)amino]ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3262968

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11997756) is N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)CCNS(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1.
What is the InChIKey of N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KSCCQPATLFDHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF6N6O3S2/c1-35(2)8-7-32-41(38,39)18-10-16(19(24)40-18)34-21(37)14-11-31-36-17(23(28,29)30)9-15(33-20(14)36)12-3-5-13(6-4-12)22(25,26)27/h3-6,9-11,32H,7-8H2,1-2H3,(H,34,37).
What are the key properties of N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 641.02 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11997756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).