5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide

C19H14F3N5O2S — CID 167790557

IUPAC5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1[nH]c(=O)c(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc1C#N
InChIInChI=1S/C19H14F3N5O2S/c1-27-15(8-14(26-27)10-4-3-5-12(6-10)19(20,21)22)24-16(28)13-7-11(9-23)18(30-2)25-17(13)29/h3-8H,1-2H3,(H,24,28)(H,25,29)
InChIKeyLHUWRNKAGXWQBM-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.64
Rot. Bonds4

About 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide

5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 167790557) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID167790557
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC Name5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCSc1[nH]c(=O)c(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc1C#N
InChIInChI=1S/C19H14F3N5O2S/c1-27-15(8-14(26-27)10-4-3-5-12(6-10)19(20,21)22)24-16(28)13-7-11(9-23)18(30-2)25-17(13)29/h3-8H,1-2H3,(H,24,28)(H,25,29)
InChIKeyLHUWRNKAGXWQBM-UHFFFAOYSA-N
XLogP3.64
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 167790557) is 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide is CSc1[nH]c(=O)c(C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cc1C#N.
What is the InChIKey of 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LHUWRNKAGXWQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-27-15(8-14(26-27)10-4-3-5-12(6-10)19(20,21)22)24-16(28)13-7-11(9-23)18(30-2)25-17(13)29/h3-8H,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide?
5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167790557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).