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

C22H17F3N4O2S — CID 24573033

IUPACN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n1
InChIInChI=1S/C22H17F3N4O2S/c1-13-8-9-18(31-2)15(10-13)17-12-32-21(27-17)28-20(30)16-11-26-29(19(16)22(23,24)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,27,28,30)
InChIKeyCMTUGNGCQAIBLE-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.58
Rot. Bonds5

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

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24573033) has the molecular formula C22H17F3N4O2S and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24573033
Molecular FormulaC22H17F3N4O2S
Molecular Weight458.47 g/mol
Exact Mass458.10
IUPAC NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n1
InChIInChI=1S/C22H17F3N4O2S/c1-13-8-9-18(31-2)15(10-13)17-12-32-21(27-17)28-20(30)16-11-26-29(19(16)22(23,24)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,27,28,30)
InChIKeyCMTUGNGCQAIBLE-UHFFFAOYSA-N
XLogP5.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572985
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 78863919
1-(2-fluorophenyl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821490
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 26723626
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572981
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
5-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 1157510
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55415660
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24573033) is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(C)cc1-c1csc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)n1.
What is the InChIKey of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CMTUGNGCQAIBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S/c1-13-8-9-18(31-2)15(10-13)17-12-32-21(27-17)28-20(30)16-11-26-29(19(16)22(23,24)25)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,27,28,30).
What are the key properties of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24573033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).