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

C22H11F9N4O3S — CID 11585073

IUPAC7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C22H11F9N4O3S/c23-20(24,25)12-6-4-11(5-7-12)16-9-17(21(26,27)28)35-18(34-16)15(10-32-35)19(36)33-13-2-1-3-14(8-13)39(37,38)22(29,30)31/h1-10H,(H,33,36)
InChIKeyPHIOUARSTDRGFC-UHFFFAOYSA-N
MW582.40 g/mol
LogP5.98
Rot. Bonds4

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

7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11585073) has the molecular formula C22H11F9N4O3S and a molecular weight of 582.40 g/mol. Its IUPAC name is 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11585073
Molecular FormulaC22H11F9N4O3S
Molecular Weight582.40 g/mol
Exact Mass582.04
IUPAC Name7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C22H11F9N4O3S/c23-20(24,25)12-6-4-11(5-7-12)16-9-17(21(26,27)28)35-18(34-16)15(10-32-35)19(36)33-13-2-1-3-14(8-13)39(37,38)22(29,30)31/h1-10H,(H,33,36)
InChIKeyPHIOUARSTDRGFC-UHFFFAOYSA-N
XLogP5.98
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.40
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110985
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3123077
5-[3-ethoxy-4-(trifluoromethyl)phenyl]-N-(3-sulfamoylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585003
5-(4-chloro-3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 69293027
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793938
N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903
N-(2,4-difluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298807
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11585073) is 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PHIOUARSTDRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F9N4O3S/c23-20(24,25)12-6-4-11(5-7-12)16-9-17(21(26,27)28)35-18(34-16)15(10-32-35)19(36)33-13-2-1-3-14(8-13)39(37,38)22(29,30)31/h1-10H,(H,33,36).
What are the key properties of 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 582.40 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11585073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).