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

C22H17F3N4O2S — CID 24572981

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)sc2C)cc1
InChIInChI=1S/C22H17F3N4O2S/c1-13-18(14-8-10-16(31-2)11-9-14)27-21(32-13)28-20(30)17-12-26-29(19(17)22(23,24)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,27,28,30)
InChIKeyNEVQFTFCACXITD-UHFFFAOYSA-N
MW458.47 g/mol
LogP5.58
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24572981) has the molecular formula C22H17F3N4O2S and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24572981
Molecular FormulaC22H17F3N4O2S
Molecular Weight458.47 g/mol
Exact Mass458.10
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)sc2C)cc1
InChIInChI=1S/C22H17F3N4O2S/c1-13-18(14-8-10-16(31-2)11-9-14)27-21(32-13)28-20(30)17-12-26-29(19(17)22(23,24)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,27,28,30)
InChIKeyNEVQFTFCACXITD-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

1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31903835
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573033
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 174636232
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610
1-(4-methylphenyl)-5-(trifluoromethyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 78863919
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24572981) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NEVQFTFCACXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2S/c1-13-18(14-8-10-16(31-2)11-9-14)27-21(32-13)28-20(30)17-12-26-29(19(17)22(23,24)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,27,28,30).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(4-methoxyphenyl)-5-methyl-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-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24572981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).