5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide

C13H22N4O3S — CID 65386781

IUPAC5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1[nH]nc(C(=O)N2CCCCC2CC)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-3-9-7-5-6-8-17(9)13(18)11-12(21(14,19)20)10(4-2)15-16-11/h9H,3-8H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyZZRFDMSUALVENF-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.02
Rot. Bonds4

About 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide

5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide (PubChem CID 65386781) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
PubChem CID65386781
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1[nH]nc(C(=O)N2CCCCC2CC)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-3-9-7-5-6-8-17(9)13(18)11-12(21(14,19)20)10(4-2)15-16-11/h9H,3-8H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyZZRFDMSUALVENF-UHFFFAOYSA-N
XLogP1.02
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386964
5-methyl-3-(2-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65373616
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66324440
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
(2-ethylazepan-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
CID 104691203
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
N-cyclopropyl-5-ethyl-N-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389094
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 53270959
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633830
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide (CID 65386781) is 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide is CCc1[nH]nc(C(=O)N2CCCCC2CC)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZZRFDMSUALVENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-9-7-5-6-8-17(9)13(18)11-12(21(14,19)20)10(4-2)15-16-11/h9H,3-8H2,1-2H3,(H,15,16)(H2,14,19,20).
What are the key properties of 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65386781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).