1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide

C12H21N3O3S — CID 35764601

IUPAC1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1C
InChIInChI=1S/C12H21N3O3S/c1-4-15-10(3)12(9(2)14-15)19(16,17)13-8-11-6-5-7-18-11/h11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyHELPIKQKDBLBOX-NSHDSACASA-N
MW287.38 g/mol
LogP0.98
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 35764601) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
PubChem CID35764601
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1C
InChIInChI=1S/C12H21N3O3S/c1-4-15-10(3)12(9(2)14-15)19(16,17)13-8-11-6-5-7-18-11/h11,13H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyHELPIKQKDBLBOX-NSHDSACASA-N
XLogP0.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide 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-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16277665
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
(3S)-3-ethyl-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 70768374
N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 75520566
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 97600593
N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 129539332
4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-2,6-dimethylmorpholine
CID 19614779
1-(difluoromethyl)-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 46972273
1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51597914
1-(difluoromethyl)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51597916
(2R,6S)-4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 51853523
(2R,6R)-4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 51853524

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide (CID 35764601) is 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is HELPIKQKDBLBOX-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-15-10(3)12(9(2)14-15)19(16,17)13-8-11-6-5-7-18-11/h11,13H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 35764601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).