1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide

C13H23N3O3S — CID 114551680

IUPAC1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C13H23N3O3S/c1-9-4-5-12(8-9)15-20(18,19)13-10(2)14-16(6-7-17)11(13)3/h9,12,15,17H,4-8H2,1-3H3
InChIKeyYFWDYHWWXCCFOO-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.96
Rot. Bonds5

About 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide (PubChem CID 114551680) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
PubChem CID114551680
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C13H23N3O3S/c1-9-4-5-12(8-9)15-20(18,19)13-10(2)14-16(6-7-17)11(13)3/h9,12,15,17H,4-8H2,1-3H3
InChIKeyYFWDYHWWXCCFOO-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551679
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
CID 79359859
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 115409002
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 80717183
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
CID 106081577
1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106002480
1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide
CID 106076320
(3-methylcyclopentyl)sulfamic acid
CID 19748602
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
1,3,5-trimethyl-N-(4-oxocyclohexyl)pyrazole-4-sulfonamide
CID 55030816

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide (CID 114551680) is 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide is Cc1nn(CCO)c(C)c1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
The InChIKey is YFWDYHWWXCCFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-9-4-5-12(8-9)15-20(18,19)13-10(2)14-16(6-7-17)11(13)3/h9,12,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114551680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).