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

C12H20N4O4S — CID 102970876

IUPAC5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1[nH]nc(C(=O)N2CCCC(OC)C2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-3-9-11(21(13,18)19)10(15-14-9)12(17)16-6-4-5-8(7-16)20-2/h8H,3-7H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyGXOOQMJZMIUKLL-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.13
Rot. Bonds4

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

5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide (PubChem CID 102970876) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
PubChem CID102970876
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1[nH]nc(C(=O)N2CCCC(OC)C2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-3-9-11(21(13,18)19)10(15-14-9)12(17)16-6-4-5-8(7-16)20-2/h8H,3-7H2,1-2H3,(H,14,15)(H2,13,18,19)
InChIKeyGXOOQMJZMIUKLL-UHFFFAOYSA-N
XLogP-0.13
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386781
5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386964
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
5-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65375202
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66324440
(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102963897
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide (CID 102970876) is 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide is CCc1[nH]nc(C(=O)N2CCCC(OC)C2)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GXOOQMJZMIUKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-3-9-11(21(13,18)19)10(15-14-9)12(17)16-6-4-5-8(7-16)20-2/h8H,3-7H2,1-2H3,(H,14,15)(H2,13,18,19).
What are the key properties of 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide?
5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 102970876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).