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

C23H17F6N5O4S — CID 11585003

IUPAC5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)c3n2)ccc1C(F)(F)F
InChIInChI=1S/C23H17F6N5O4S/c1-2-38-18-8-12(6-7-16(18)22(24,25)26)17-10-19(23(27,28)29)34-20(33-17)15(11-31-34)21(35)32-13-4-3-5-14(9-13)39(30,36)37/h3-11H,2H2,1H3,(H,32,35)(H2,30,36,37)
InChIKeyALEIYMWKWFYTQA-UHFFFAOYSA-N
MW573.48 g/mol
LogP4.73
Rot. Bonds6

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

5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11585003) has the molecular formula C23H17F6N5O4S and a molecular weight of 573.48 g/mol. Its IUPAC name is 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11585003
Molecular FormulaC23H17F6N5O4S
Molecular Weight573.48 g/mol
Exact Mass573.09
IUPAC Name5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)c3n2)ccc1C(F)(F)F
InChIInChI=1S/C23H17F6N5O4S/c1-2-38-18-8-12(6-7-16(18)22(24,25)26)17-10-19(23(27,28)29)34-20(33-17)15(11-31-34)21(35)32-13-4-3-5-14(9-13)39(30,36)37/h3-11H,2H2,1H3,(H,32,35)(H2,30,36,37)
InChIKeyALEIYMWKWFYTQA-UHFFFAOYSA-N
XLogP4.73
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate
CID 87768470
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073
[5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)carbamate
CID 87314339
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110985
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333504
5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11656447
5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 69293027
N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 6615949
N-(3-chlorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298665
5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821142
N-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046587
N-(4-acetylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2872128

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11585003) is 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)c3n2)ccc1C(F)(F)F.
What is the InChIKey of 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ALEIYMWKWFYTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5O4S/c1-2-38-18-8-12(6-7-16(18)22(24,25)26)17-10-19(23(27,28)29)34-20(33-17)15(11-31-34)21(35)32-13-4-3-5-14(9-13)39(30,36)37/h3-11H,2H2,1H3,(H,32,35)(H2,30,36,37).
What are the key properties of 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 573.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11585003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).