3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride

C17H33ClN4O2S — CID 120712615

IUPAC3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C17H32N4O2S.ClH/c1-6-11-21(16-7-9-18-10-8-16)24(22,23)17-14(4)19-20(15(17)5)12-13(2)3;/h13,16,18H,6-12H2,1-5H3;1H
InChIKeyIWIZTTGZGHJMPK-UHFFFAOYSA-N
MW393.00 g/mol
LogP2.73
Rot. Bonds7

About 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride

3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 120712615) has the molecular formula C17H33ClN4O2S and a molecular weight of 393.00 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
PubChem CID120712615
Molecular FormulaC17H33ClN4O2S
Molecular Weight393.00 g/mol
Exact Mass392.20
IUPAC Name3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C17H32N4O2S.ClH/c1-6-11-21(16-7-9-18-10-8-16)24(22,23)17-14(4)19-20(15(17)5)12-13(2)3;/h13,16,18H,6-12H2,1-5H3;1H
InChIKeyIWIZTTGZGHJMPK-UHFFFAOYSA-N
XLogP2.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.00
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 120712616
N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 120709837
3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993772
N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 75477034
3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120720041
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
N,1,3,5-tetramethyl-N-piperidin-4-ylpyrazole-4-sulfonamide;hydrochloride
CID 119966073
3,5-dimethyl-1-(2-methylpropyl)-N,N-bis(prop-2-ynyl)pyrazole-4-sulfonamide
CID 75477027
N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119824243
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103951467
N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 167789303

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride (CID 120712615) is 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is IWIZTTGZGHJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2S.ClH/c1-6-11-21(16-7-9-18-10-8-16)24(22,23)17-14(4)19-20(15(17)5)12-13(2)3;/h13,16,18H,6-12H2,1-5H3;1H.
What are the key properties of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 393.00 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120712615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).