1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride

C10H19ClN4O2S — CID 120722687

IUPAC1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8-3-4-11-6-10(8)13-17(15,16)9-5-12-14(2)7-9;/h5,7-8,10-11,13H,3-4,6H2,1-2H3;1H
InChIKeySZQCJVCSEOELNA-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.12
Rot. Bonds3

About 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride

1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120722687) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120722687
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8-3-4-11-6-10(8)13-17(15,16)9-5-12-14(2)7-9;/h5,7-8,10-11,13H,3-4,6H2,1-2H3;1H
InChIKeySZQCJVCSEOELNA-UHFFFAOYSA-N
XLogP0.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride (CID 120722687) is 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride is CC1CCNCC1NS(=O)(=O)c1cnn(C)c1.Cl.
What is the InChIKey of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is SZQCJVCSEOELNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-8-3-4-11-6-10(8)13-17(15,16)9-5-12-14(2)7-9;/h5,7-8,10-11,13H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride?
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).