3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide

C12H23N3O3S — CID 75454035

IUPAC3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H23N3O3S/c1-6-10-12(11(7-2)15(5)13-10)19(17,18)14(4)8-9(3)16/h9,16H,6-8H2,1-5H3
InChIKeyBNSVXMIEQCJHFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.55
Rot. Bonds6

About 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide

3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 75454035) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID75454035
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide
SMILESCCc1nn(C)c(CC)c1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H23N3O3S/c1-6-10-12(11(7-2)15(5)13-10)19(17,18)14(4)8-9(3)16/h9,16H,6-8H2,1-5H3
InChIKeyBNSVXMIEQCJHFZ-UHFFFAOYSA-N
XLogP0.55
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-3,5-diethyl-N,1-dimethylpyrazole-4-sulfonamide
CID 86784633
3,5-diethyl-N,1-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-sulfonamide
CID 129004782
(1R)-1-[(2S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanol
CID 97245691
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
[(3S,4S)-1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129002000
3,5-diethyl-1,4-dimethylpyrazole
CID 44720131
N-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonyl-3-methyloxetane-3-carboxamide
CID 154789620
6-bromo-2-[(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylamino]-3-methylbenzoic acid
CID 99784461
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-hydroxybutan-2-one
CID 103451555
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide (CID 75454035) is 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide is CCc1nn(C)c(CC)c1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is BNSVXMIEQCJHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-6-10-12(11(7-2)15(5)13-10)19(17,18)14(4)8-9(3)16/h9,16H,6-8H2,1-5H3.
What are the key properties of 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide?
3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 75454035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).