1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C14H8ClF3N4OS — CID 17424058

IUPAC1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C14H8ClF3N4OS/c15-8-1-3-9(4-2-8)22-11(14(16,17)18)10(7-20-22)12(23)21-13-19-5-6-24-13/h1-7H,(H,19,21,23)
InChIKeyDIDRKABYELANHB-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.25
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 17424058) has the molecular formula C14H8ClF3N4OS and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID17424058
Molecular FormulaC14H8ClF3N4OS
Molecular Weight372.76 g/mol
Exact Mass372.01
IUPAC Name1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C14H8ClF3N4OS/c15-8-1-3-9(4-2-8)22-11(14(16,17)18)10(7-20-22)12(23)21-13-19-5-6-24-13/h1-7H,(H,19,21,23)
InChIKeyDIDRKABYELANHB-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-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 17424058) is 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DIDRKABYELANHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4OS/c15-8-1-3-9(4-2-8)22-11(14(16,17)18)10(7-20-22)12(23)21-13-19-5-6-24-13/h1-7H,(H,19,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-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-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 17424058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).