N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide

C12H21N3O3S — CID 114551690

IUPACN-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cnn(CCO)c2)C1
InChIInChI=1S/C12H21N3O3S/c1-12(2)4-3-10(7-12)14-19(17,18)11-8-13-15(9-11)5-6-16/h8-10,14,16H,3-7H2,1-2H3
InChIKeyPHSUKQQNCQPOEN-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.73
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide

N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide (PubChem CID 114551690) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
PubChem CID114551690
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cnn(CCO)c2)C1
InChIInChI=1S/C12H21N3O3S/c1-12(2)4-3-10(7-12)14-19(17,18)11-8-13-15(9-11)5-6-16/h8-10,14,16H,3-7H2,1-2H3
InChIKeyPHSUKQQNCQPOEN-UHFFFAOYSA-N
XLogP0.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 106002630
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106075167
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
N-(3,3-dimethylcyclopentyl)-1-methylimidazole-4-sulfonamide
CID 115881173
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
N-(3,3-dimethylcyclopentyl)-6-(methylamino)pyridine-3-sulfonamide
CID 114551015
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 133124038

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide (CID 114551690) is N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide is CC1(C)CCC(NS(=O)(=O)c2cnn(CCO)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The InChIKey is PHSUKQQNCQPOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(2)4-3-10(7-12)14-19(17,18)11-8-13-15(9-11)5-6-16/h8-10,14,16H,3-7H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114551690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).