N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

C13H24N4O3S — CID 60959718

IUPACN-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C13H24N4O3S/c1-10-13(11(2)15-14-10)21(19,20)17(8-9-18)12-4-6-16(3)7-5-12/h12,18H,4-9H2,1-3H3,(H,14,15)
InChIKeyMNWSWMLALLJNGT-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.10
Rot. Bonds5

About N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959718) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60959718
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C13H24N4O3S/c1-10-13(11(2)15-14-10)21(19,20)17(8-9-18)12-4-6-16(3)7-5-12/h12,18H,4-9H2,1-3H3,(H,14,15)
InChIKeyMNWSWMLALLJNGT-UHFFFAOYSA-N
XLogP0.10
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60958748
N-(2-chloroethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63396431
N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 60960230
N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984258
4-[2-hydroxyethyl(sulfamoyl)amino]-1-methylpiperidine
CID 112689198
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106599631
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786
3-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61456255
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]ethanol
CID 115901977
N-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
CID 63880352
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
CID 61458209

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (CID 60959718) is N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is MNWSWMLALLJNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10-13(11(2)15-14-10)21(19,20)17(8-9-18)12-4-6-16(3)7-5-12/h12,18H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).