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

C13H22N4O3S — CID 65386964

IUPAC5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1[nH]nc(C(=O)N2CCCCCC2C)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-3-10-12(21(14,19)20)11(16-15-10)13(18)17-8-6-4-5-7-9(17)2/h9H,3-8H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyHAUWZACGVMZLSM-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.02
Rot. Bonds3

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

5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide (PubChem CID 65386964) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
PubChem CID65386964
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
SMILESCCc1[nH]nc(C(=O)N2CCCCCC2C)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-3-10-12(21(14,19)20)11(16-15-10)13(18)17-8-6-4-5-7-9(17)2/h9H,3-8H2,1-2H3,(H,15,16)(H2,14,19,20)
InChIKeyHAUWZACGVMZLSM-UHFFFAOYSA-N
XLogP1.02
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386781
5-methyl-3-(2-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65373616
3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65395863
5-ethyl-3-(3-methoxypiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 102970876
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 66324440
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
N-cyclopropyl-5-ethyl-N-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389094
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 65389074
1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 62082683

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide (CID 65386964) is 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide is CCc1[nH]nc(C(=O)N2CCCCCC2C)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HAUWZACGVMZLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-10-12(21(14,19)20)11(16-15-10)13(18)17-8-6-4-5-7-9(17)2/h9H,3-8H2,1-2H3,(H,15,16)(H2,14,19,20).
What are the key properties of 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide?
5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 65386964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).