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

C20H11F5N4OS — CID 24572985

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H11F5N4OS/c21-14-7-6-11(8-15(14)22)16-10-31-19(27-16)28-18(30)13-9-26-29(17(13)20(23,24)25)12-4-2-1-3-5-12/h1-10H,(H,27,28,30)
InChIKeySXEGSBVCXIXRCQ-UHFFFAOYSA-N
MW450.39 g/mol
LogP5.55
Rot. Bonds4

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24572985) has the molecular formula C20H11F5N4OS and a molecular weight of 450.39 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24572985
Molecular FormulaC20H11F5N4OS
Molecular Weight450.39 g/mol
Exact Mass450.06
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H11F5N4OS/c21-14-7-6-11(8-15(14)22)16-10-31-19(27-16)28-18(30)13-9-26-29(17(13)20(23,24)25)12-4-2-1-3-5-12/h1-10H,(H,27,28,30)
InChIKeySXEGSBVCXIXRCQ-UHFFFAOYSA-N
XLogP5.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.39
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827946
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24595714
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24572993
1-(3-chlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465807
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573033
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24666405
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112814019
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
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
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24572985) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SXEGSBVCXIXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N4OS/c21-14-7-6-11(8-15(14)22)16-10-31-19(27-16)28-18(30)13-9-26-29(17(13)20(23,24)25)12-4-2-1-3-5-12/h1-10H,(H,27,28,30).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 450.39 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24572985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).