2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C17H29N3O3S — CID 134012566

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H29N3O3S/c1-6-19(15-7-8-24(22,23)11-15)17(21)9-16-13(4)18-20(14(16)5)10-12(2)3/h12,15H,6-11H2,1-5H3
InChIKeyWHWFLRGFLQOGPP-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.73
Rot. Bonds6

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 134012566) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID134012566
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H29N3O3S/c1-6-19(15-7-8-24(22,23)11-15)17(21)9-16-13(4)18-20(14(16)5)10-12(2)3/h12,15H,6-11H2,1-5H3
InChIKeyWHWFLRGFLQOGPP-UHFFFAOYSA-N
XLogP1.73
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211197
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685697
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 136890060
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702454
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392466
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113181964
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005081
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 78973243
2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110767302

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 134012566) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is WHWFLRGFLQOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-6-19(15-7-8-24(22,23)11-15)17(21)9-16-13(4)18-20(14(16)5)10-12(2)3/h12,15H,6-11H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 355.50 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 134012566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).