2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide

C14H17F3N6OS — CID 17021708

IUPAC2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC
InChIInChI=1S/C14H17F3N6OS/c1-4-6-18-11(24)8-25-13-20-19-12(23(13)5-2)9-7-10(14(15,16)17)21-22(9)3/h4,7H,1,5-6,8H2,2-3H3,(H,18,24)
InChIKeyLZNRTFSXUGXWTD-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.11
Rot. Bonds7

About 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide

2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide (PubChem CID 17021708) has the molecular formula C14H17F3N6OS and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
PubChem CID17021708
Molecular FormulaC14H17F3N6OS
Molecular Weight374.39 g/mol
Exact Mass374.11
IUPAC Name2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC
InChIInChI=1S/C14H17F3N6OS/c1-4-6-18-11(24)8-25-13-20-19-12(23(13)5-2)9-7-10(14(15,16)17)21-22(9)3/h4,7H,1,5-6,8H2,2-3H3,(H,18,24)
InChIKeyLZNRTFSXUGXWTD-UHFFFAOYSA-N
XLogP2.11
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide (CID 17021708) is 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC.
What is the InChIKey of 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The InChIKey is LZNRTFSXUGXWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6OS/c1-4-6-18-11(24)8-25-13-20-19-12(23(13)5-2)9-7-10(14(15,16)17)21-22(9)3/h4,7H,1,5-6,8H2,2-3H3,(H,18,24).
What are the key properties of 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 374.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 17021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).