3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide

C15H17F3N4OS — CID 69263691

IUPAC3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide
SMILESCSCC(C(=O)N(C)c1cn(-c2cccnc2)nc1C)C(F)(F)F
InChIInChI=1S/C15H17F3N4OS/c1-10-13(8-22(20-10)11-5-4-6-19-7-11)21(2)14(23)12(9-24-3)15(16,17)18/h4-8,12H,9H2,1-3H3
InChIKeyGPMUOLRWDVIJSC-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.08
Rot. Bonds5

About 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide

3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide (PubChem CID 69263691) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide
PubChem CID69263691
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide
SMILESCSCC(C(=O)N(C)c1cn(-c2cccnc2)nc1C)C(F)(F)F
InChIInChI=1S/C15H17F3N4OS/c1-10-13(8-22(20-10)11-5-4-6-19-7-11)21(2)14(23)12(9-24-3)15(16,17)18/h4-8,12H,9H2,1-3H3
InChIKeyGPMUOLRWDVIJSC-UHFFFAOYSA-N
XLogP3.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide (CID 69263691) is 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide is CSCC(C(=O)N(C)c1cn(-c2cccnc2)nc1C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide?
The InChIKey is GPMUOLRWDVIJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-10-13(8-22(20-10)11-5-4-6-19-7-11)21(2)14(23)12(9-24-3)15(16,17)18/h4-8,12H,9H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide?
3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide has a molecular weight of 358.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-(methylsulfanylmethyl)propanamide is sourced from PubChem (CID 69263691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).