1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide

C12H19N5O2S — CID 22209538

IUPAC1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(CNS(=O)(=O)c2cn(CC)nc2C)cn1
InChIInChI=1S/C12H19N5O2S/c1-4-16-8-11(6-13-16)7-14-20(18,19)12-9-17(5-2)15-10(12)3/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyFFXTWUVWQCBFNY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.91
Rot. Bonds6

About 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide

1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide (PubChem CID 22209538) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
PubChem CID22209538
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(CNS(=O)(=O)c2cn(CC)nc2C)cn1
InChIInChI=1S/C12H19N5O2S/c1-4-16-8-11(6-13-16)7-14-20(18,19)12-9-17(5-2)15-10(12)3/h6,8-9,14H,4-5,7H2,1-3H3
InChIKeyFFXTWUVWQCBFNY-UHFFFAOYSA-N
XLogP0.91
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-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

1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22206025
1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681806
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209589
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
CID 95226625
ethane;1-ethyl-3-methyl-4-methylsulfonylpyrazole
CID 177232884
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide (CID 22209538) is 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide is CCn1cc(CNS(=O)(=O)c2cn(CC)nc2C)cn1.
What is the InChIKey of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide?
The InChIKey is FFXTWUVWQCBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-4-16-8-11(6-13-16)7-14-20(18,19)12-9-17(5-2)15-10(12)3/h6,8-9,14H,4-5,7H2,1-3H3.
What are the key properties of 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide?
1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22209538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).