1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide

C20H11F6N5OS — CID 176859269

IUPAC1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H11F6N5OS/c21-19(22,23)15-14(16(20(24,25)26)31(30-15)11-6-2-1-3-7-11)17(32)29-18-28-13(10-33-18)12-8-4-5-9-27-12/h1-10H,(H,28,29,32)
InChIKeyHTKQPFKIJYGRNV-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.68
Rot. Bonds4

About 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 176859269) has the molecular formula C20H11F6N5OS and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID176859269
Molecular FormulaC20H11F6N5OS
Molecular Weight483.40 g/mol
Exact Mass483.06
IUPAC Name1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C20H11F6N5OS/c21-19(22,23)15-14(16(20(24,25)26)31(30-15)11-6-2-1-3-7-11)17(32)29-18-28-13(10-33-18)12-8-4-5-9-27-12/h1-10H,(H,28,29,32)
InChIKeyHTKQPFKIJYGRNV-UHFFFAOYSA-N
XLogP5.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
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1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695
phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
CID 162535186
3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid
CID 177207667
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
1-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618882
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 177207565
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide (CID 176859269) is 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HTKQPFKIJYGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5OS/c21-19(22,23)15-14(16(20(24,25)26)31(30-15)11-6-2-1-3-7-11)17(32)29-18-28-13(10-33-18)12-8-4-5-9-27-12/h1-10H,(H,28,29,32).
What are the key properties of 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 176859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).