1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide

C13H23N3O3S — CID 79357659

IUPAC1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2cnn(CCO)c2)C1(C)C
InChIInChI=1S/C13H23N3O3S/c1-12(2)11(13(12,3)4)8-15-20(18,19)10-7-14-16(9-10)5-6-17/h7,9,11,15,17H,5-6,8H2,1-4H3
InChIKeyWYYKBSUYBDCSCJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.84
Rot. Bonds6

About 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide (PubChem CID 79357659) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
PubChem CID79357659
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2cnn(CCO)c2)C1(C)C
InChIInChI=1S/C13H23N3O3S/c1-12(2)11(13(12,3)4)8-15-20(18,19)10-7-14-16(9-10)5-6-17/h7,9,11,15,17H,5-6,8H2,1-4H3
InChIKeyWYYKBSUYBDCSCJ-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
CID 107818607
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391
1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001861
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 106014748
1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 106002272
1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 114185407
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide (CID 79357659) is 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide is CC1(C)C(CNS(=O)(=O)c2cnn(CCO)c2)C1(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is WYYKBSUYBDCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-12(2)11(13(12,3)4)8-15-20(18,19)10-7-14-16(9-10)5-6-17/h7,9,11,15,17H,5-6,8H2,1-4H3.
What are the key properties of 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 79357659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).