1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C16H10F6N4OS — CID 78863919

IUPAC1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3nc(C(F)(F)F)cs3)c2C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N4OS/c1-8-2-4-9(5-3-8)26-12(16(20,21)22)10(6-23-26)13(27)25-14-24-11(7-28-14)15(17,18)19/h2-7H,1H3,(H,24,25,27)
InChIKeyIVHLBXAWLSBMHY-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.93
Rot. Bonds3

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

1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 78863919) has the molecular formula C16H10F6N4OS and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID78863919
Molecular FormulaC16H10F6N4OS
Molecular Weight420.34 g/mol
Exact Mass420.05
IUPAC Name1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3nc(C(F)(F)F)cs3)c2C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N4OS/c1-8-2-4-9(5-3-8)26-12(16(20,21)22)10(6-23-26)13(27)25-14-24-11(7-28-14)15(17,18)19/h2-7H,1H3,(H,24,25,27)
InChIKeyIVHLBXAWLSBMHY-UHFFFAOYSA-N
XLogP4.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572993
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
1-(4-chlorophenyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827946
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573033
N-(2-fluoro-4-methylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55463902
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
N-(4-carbamoylphenyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51285149
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572985
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 43052197
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
N-(4-methoxybutan-2-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 71685118

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 78863919) is 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3nc(C(F)(F)F)cs3)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is IVHLBXAWLSBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N4OS/c1-8-2-4-9(5-3-8)26-12(16(20,21)22)10(6-23-26)13(27)25-14-24-11(7-28-14)15(17,18)19/h2-7H,1H3,(H,24,25,27).
What are the key properties of 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 78863919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).