4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide

C17H14ClF3N4OS — CID 66779115

IUPAC4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCCCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl
InChIInChI=1S/C17H14ClF3N4OS/c1-2-7-25-11(8-12(24-25)17(19,20)21)14-13(23-16(27-14)15(22)26)9-5-3-4-6-10(9)18/h3-6,8H,2,7H2,1H3,(H2,22,26)
InChIKeyPJXNBENSIDCCAY-UHFFFAOYSA-N
MW414.84 g/mol
LogP4.85
Rot. Bonds5

About 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide

4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (PubChem CID 66779115) has the molecular formula C17H14ClF3N4OS and a molecular weight of 414.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
PubChem CID66779115
Molecular FormulaC17H14ClF3N4OS
Molecular Weight414.84 g/mol
Exact Mass414.05
IUPAC Name4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCCCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl
InChIInChI=1S/C17H14ClF3N4OS/c1-2-7-25-11(8-12(24-25)17(19,20)21)14-13(23-16(27-14)15(22)26)9-5-3-4-6-10(9)18/h3-6,8H,2,7H2,1H3,(H2,22,26)
InChIKeyPJXNBENSIDCCAY-UHFFFAOYSA-N
XLogP4.85
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (CID 66779115) is 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is CCCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is PJXNBENSIDCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4OS/c1-2-7-25-11(8-12(24-25)17(19,20)21)14-13(23-16(27-14)15(22)26)9-5-3-4-6-10(9)18/h3-6,8H,2,7H2,1H3,(H2,22,26).
What are the key properties of 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 414.84 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-[1-propyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66779115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).