3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C15H14F6N4O3S — CID 118299006

IUPAC3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)N(C)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C15H14F6N4O3S/c1-4-29(27,28)9-5-8(14(16,17)18)7-22-12(9)13(26)24(2)11-6-10(15(19,20)21)25(3)23-11/h5-7H,4H2,1-3H3
InChIKeyUIXKLPNKPZXLAI-UHFFFAOYSA-N
MW444.36 g/mol
LogP2.92
Rot. Bonds4

About 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118299006) has the molecular formula C15H14F6N4O3S and a molecular weight of 444.36 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118299006
Molecular FormulaC15H14F6N4O3S
Molecular Weight444.36 g/mol
Exact Mass444.07
IUPAC Name3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)N(C)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C15H14F6N4O3S/c1-4-29(27,28)9-5-8(14(16,17)18)7-22-12(9)13(26)24(2)11-6-10(15(19,20)21)25(3)23-11/h5-7H,4H2,1-3H3
InChIKeyUIXKLPNKPZXLAI-UHFFFAOYSA-N
XLogP2.92
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethylsulfonyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118299060
3-ethylsulfonyl-N-[3-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118533945
5-(1,1-difluoroethyl)-3-ethylsulfonylpyridine-2-carboxylic acid
CID 162442570
3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 168753793
3-ethylsulfonyl-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 118294577
1-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-[5-(methylamino)-2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 159170726
N,1-dimethyl-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 138008703
methyl 3-ethylsulfonyl-5-(2-methylbut-3-yn-2-yl)pyridine-2-carboxylate
CID 167547749
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
6-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-(1,1,2,2,2-pentafluoroethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 118181867
2-ethylsulfonyl-N,4-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;3-ethylsulfonyl-N,5-dimethyl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-ethylsulfonyl-N,4-dimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;3-ethylsulfonyl-N,5-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide;3-ethylsulfonyl-N-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-4-carboxamide
CID 167549474
3-ethylsulfonyl-N-[3-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-ylidene]-5-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 121390615

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 118299006) is 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)N(C)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UIXKLPNKPZXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4O3S/c1-4-29(27,28)9-5-8(14(16,17)18)7-22-12(9)13(26)24(2)11-6-10(15(19,20)21)25(3)23-11/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 444.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-methyl-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118299006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).