2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide

C13H13F3N4OS — CID 90588593

IUPAC2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4OS/c1-22-12-9(3-2-5-18-12)11(21)17-6-8-20-7-4-10(19-20)13(14,15)16/h2-5,7H,6,8H2,1H3,(H,17,21)
InChIKeyMVGIFQICXUGZHV-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.45
Rot. Bonds5

About 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 90588593) has the molecular formula C13H13F3N4OS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID90588593
Molecular FormulaC13H13F3N4OS
Molecular Weight330.34 g/mol
Exact Mass330.08
IUPAC Name2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4OS/c1-22-12-9(3-2-5-18-12)11(21)17-6-8-20-7-4-10(19-20)13(14,15)16/h2-5,7H,6,8H2,1H3,(H,17,21)
InChIKeyMVGIFQICXUGZHV-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
1-ethyl-7-methyl-4-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,8-naphthyridine-3-carboxamide
CID 90588663
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide (CID 90588593) is 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is MVGIFQICXUGZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS/c1-22-12-9(3-2-5-18-12)11(21)17-6-8-20-7-4-10(19-20)13(14,15)16/h2-5,7H,6,8H2,1H3,(H,17,21).
What are the key properties of 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90588593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).