1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H8ClF3N4OS — CID 90149388

IUPAC1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C14H8ClF3N4OS/c15-8-3-1-2-4-9(8)22-10(7-11(21-22)14(16,17)18)12(23)20-13-19-5-6-24-13/h1-7H,(H,19,20,23)
InChIKeyZDTJHOXECFAFBO-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.25
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 90149388) has the molecular formula C14H8ClF3N4OS and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID90149388
Molecular FormulaC14H8ClF3N4OS
Molecular Weight372.76 g/mol
Exact Mass372.01
IUPAC Name1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C14H8ClF3N4OS/c15-8-3-1-2-4-9(8)22-10(7-11(21-22)14(16,17)18)12(23)20-13-19-5-6-24-13/h1-7H,(H,19,20,23)
InChIKeyZDTJHOXECFAFBO-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 90149388) is 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is O=C(Nc1nccs1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZDTJHOXECFAFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4OS/c15-8-3-1-2-4-9(8)22-10(7-11(21-22)14(16,17)18)12(23)20-13-19-5-6-24-13/h1-7H,(H,19,20,23).
What are the key properties of 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 372.76 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90149388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).