1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide

C12H20N4O3S — CID 164638637

IUPAC1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-15-8-11(6-13-15)20(18,19)14-10-5-12(17)16(7-10)9(2)3/h6,8-10,14H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKeyFMJBACHZCWEZSW-JTQLQIEISA-N
MW300.38 g/mol
LogP0.19
Rot. Bonds5

About 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide

1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 164638637) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
PubChem CID164638637
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-15-8-11(6-13-15)20(18,19)14-10-5-12(17)16(7-10)9(2)3/h6,8-10,14H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKeyFMJBACHZCWEZSW-JTQLQIEISA-N
XLogP0.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(3-methylbutyl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 53576682
N-[(3R*,4S*)-1-acetyl-4-cyclopropyl-3-pyrrolidinyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 72851250
1-(2-(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 86266949
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
5-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-1-methyl-1,5-diazacycloundecan-2-one
CID 110201452
N-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150216
1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}ethan-1-one
CID 45822269
1-methyl-N-(2-pyrrolidin-1-ylbutyl)pyrazole-4-sulfonamide
CID 45822387
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-(1,4-dimethylpyrrolidin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 71927258
N-cycloheptyl-N-methyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 72025039
N-[(2S)-2-(diethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 94025245

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide (CID 164638637) is 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2)cn1.
What is the InChIKey of 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is FMJBACHZCWEZSW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-15-8-11(6-13-15)20(18,19)14-10-5-12(17)16(7-10)9(2)3/h6,8-10,14H,4-5,7H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 164638637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).