N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

C17H13ClF3N5OS — CID 51353311

IUPACN-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c(Cl)c2C2CC2)nc1
InChIInChI=1S/C17H13ClF3N5OS/c1-8-14(28-7-23-8)16(27)24-10-4-5-11(22-6-10)26-13(9-2-3-9)12(18)15(25-26)17(19,20)21/h4-7,9H,2-3H2,1H3,(H,24,27)
InChIKeyJLTCFSSBFYODOL-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.83
Rot. Bonds4

About N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51353311) has the molecular formula C17H13ClF3N5OS and a molecular weight of 427.84 g/mol. Its IUPAC name is N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51353311
Molecular FormulaC17H13ClF3N5OS
Molecular Weight427.84 g/mol
Exact Mass427.05
IUPAC NameN-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c(Cl)c2C2CC2)nc1
InChIInChI=1S/C17H13ClF3N5OS/c1-8-14(28-7-23-8)16(27)24-10-4-5-11(22-6-10)26-13(9-2-3-9)12(18)15(25-26)17(19,20)21/h4-7,9H,2-3H2,1H3,(H,24,27)
InChIKeyJLTCFSSBFYODOL-UHFFFAOYSA-N
XLogP4.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 1487644
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 57518341
N-[4-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 67114830
1-(benzo[d]thiazol-7-yl)-N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609961
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 4877248
5-chloro-3-methyl-1-(2-methylpropyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 16292918
2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 38760327
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335323
4-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 91652858
1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 136524340
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353373
1-[6-[3-Cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)urea
CID 51353378

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51353311) is N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c(Cl)c2C2CC2)nc1.
What is the InChIKey of N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JLTCFSSBFYODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5OS/c1-8-14(28-7-23-8)16(27)24-10-4-5-11(22-6-10)26-13(9-2-3-9)12(18)15(25-26)17(19,20)21/h4-7,9H,2-3H2,1H3,(H,24,27).
What are the key properties of N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 427.84 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51353311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).