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

C8H11N5O4S — CID 114185407

IUPAC1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1cnn(CCO)c1
InChIInChI=1S/C8H11N5O4S/c14-2-1-13-5-7(3-10-13)18(15,16)11-4-8-9-6-17-12-8/h3,5-6,11,14H,1-2,4H2
InChIKeyNJYPKUCDSRBHLS-UHFFFAOYSA-N
MW273.27 g/mol
LogP-1.26
Rot. Bonds6

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

1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 114185407) has the molecular formula C8H11N5O4S and a molecular weight of 273.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID114185407
Molecular FormulaC8H11N5O4S
Molecular Weight273.27 g/mol
Exact Mass273.05
IUPAC Name1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1cnn(CCO)c1
InChIInChI=1S/C8H11N5O4S/c14-2-1-13-5-7(3-10-13)18(15,16)11-4-8-9-6-17-12-8/h3,5-6,11,14H,1-2,4H2
InChIKeyNJYPKUCDSRBHLS-UHFFFAOYSA-N
XLogP-1.26
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106411075
N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 106014748
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391
1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407075
1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001861
1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
CID 107818607
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106410502
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide (CID 114185407) is 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide is O=S(=O)(NCc1ncon1)c1cnn(CCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is NJYPKUCDSRBHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O4S/c14-2-1-13-5-7(3-10-13)18(15,16)11-4-8-9-6-17-12-8/h3,5-6,11,14H,1-2,4H2.
What are the key properties of 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 273.27 g/mol, XLogP of -1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).