N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide

C12H10ClF3N4OS — CID 69263756

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide
SMILESCN(C(=O)CSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H10ClF3N4OS/c1-19(10(21)7-22-12(14,15)16)9-6-20(18-11(9)13)8-3-2-4-17-5-8/h2-6H,7H2,1H3
InChIKeyHRPKHKBXQCTZJY-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.14
Rot. Bonds4

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 69263756) has the molecular formula C12H10ClF3N4OS and a molecular weight of 350.75 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID69263756
Molecular FormulaC12H10ClF3N4OS
Molecular Weight350.75 g/mol
Exact Mass350.02
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide
SMILESCN(C(=O)CSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H10ClF3N4OS/c1-19(10(21)7-22-12(14,15)16)9-6-20(18-11(9)13)8-3-2-4-17-5-8/h2-6H,7H2,1H3
InChIKeyHRPKHKBXQCTZJY-UHFFFAOYSA-N
XLogP3.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4597056
2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(2-chloropyridin-3-yl)acetamide
CID 1922700
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-1-(4-pyridin-4-yl-piperazin-1-yl)-ethanone
CID 21071057
N-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-3-((3,3,3-trifluoropropyl)thio)propanamide
CID 86700584
Tyclopyrazoflor
CID 86700627
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-N-(3-pyridyl)acetamide
CID 744105
N-methyl-1-pyridin-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 58270480
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 58778029
3,3,3-trifluoro-N-(1-pyridin-3-ylpyrazol-4-yl)propanamide
CID 60171733
(Z)-N-(3-chloro-1-(5-fluoropyridin-3-yl)-1H-pyrazol-4-yl)-N-ethyl-2-methylbut-2-enamide
CID 67499273
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylbut-2-enamide
CID 67499275
N-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-N-ethyl-4,4,4-trifluoro-3-(methylsulfinyl)butanamide
CID 67499360

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide (CID 69263756) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide is CN(C(=O)CSC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is HRPKHKBXQCTZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4OS/c1-19(10(21)7-22-12(14,15)16)9-6-20(18-11(9)13)8-3-2-4-17-5-8/h2-6H,7H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 350.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 69263756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).