3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

C16H31ClN4O2S — CID 120720041

IUPAC3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1(C)CCNCC1.Cl
InChIInChI=1S/C16H30N4O2S.ClH/c1-12(2)10-20-14(4)15(13(3)19-20)23(21,22)18-11-16(5)6-8-17-9-7-16;/h12,17-18H,6-11H2,1-5H3;1H
InChIKeyNHWPAKNSVSEJBD-UHFFFAOYSA-N
MW378.97 g/mol
LogP2.25
Rot. Bonds6

About 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120720041) has the molecular formula C16H31ClN4O2S and a molecular weight of 378.97 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120720041
Molecular FormulaC16H31ClN4O2S
Molecular Weight378.97 g/mol
Exact Mass378.19
IUPAC Name3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1(C)CCNCC1.Cl
InChIInChI=1S/C16H30N4O2S.ClH/c1-12(2)10-20-14(4)15(13(3)19-20)23(21,22)18-11-16(5)6-8-17-9-7-16;/h12,17-18H,6-11H2,1-5H3;1H
InChIKeyNHWPAKNSVSEJBD-UHFFFAOYSA-N
XLogP2.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120720041) is 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCC1(C)CCNCC1.Cl.
What is the InChIKey of 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is NHWPAKNSVSEJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S.ClH/c1-12(2)10-20-14(4)15(13(3)19-20)23(21,22)18-11-16(5)6-8-17-9-7-16;/h12,17-18H,6-11H2,1-5H3;1H.
What are the key properties of 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 378.97 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120720041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).