3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide

C12H22N4O2S — CID 54922474

IUPAC3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C12H22N4O2S/c1-3-15-9-11(12(13)14-15)19(17,18)16(4-2)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyFVOXUUMWCJMQMT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.44
Rot. Bonds5

About 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide

3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide (PubChem CID 54922474) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
PubChem CID54922474
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C12H22N4O2S/c1-3-15-9-11(12(13)14-15)19(17,18)16(4-2)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyFVOXUUMWCJMQMT-UHFFFAOYSA-N
XLogP1.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-N-cyclopropyl-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 60807969
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethylpyrazole-4-sulfonamide
CID 63315016
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
1-ethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-3-amine
CID 60814183
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-1-ethylpyrazol-3-amine
CID 65318955
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 1178561
3-amino-1-ethyl-N-[2-(hydroxymethyl)cyclopentyl]pyrazole-4-sulfonamide
CID 106358780

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide (CID 54922474) is 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide is CCN(C1CCCC1)S(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide?
The InChIKey is FVOXUUMWCJMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-15-9-11(12(13)14-15)19(17,18)16(4-2)10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide?
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide is sourced from PubChem (CID 54922474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).