N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide

C9H17N3O2S — CID 22204378

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)CC)c1C
InChIInChI=1S/C9H17N3O2S/c1-5-12-8(4)9(7(3)10-12)11-15(13,14)6-2/h11H,5-6H2,1-4H3
InChIKeyKDQLQTYVAABHCJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.28
Rot. Bonds4

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide (PubChem CID 22204378) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide
PubChem CID22204378
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)CC)c1C
InChIInChI=1S/C9H17N3O2S/c1-5-12-8(4)9(7(3)10-12)11-15(13,14)6-2/h11H,5-6H2,1-4H3
InChIKeyKDQLQTYVAABHCJ-UHFFFAOYSA-N
XLogP1.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide (CID 22204378) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide is CCn1nc(C)c(NS(=O)(=O)CC)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide?
The InChIKey is KDQLQTYVAABHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-12-8(4)9(7(3)10-12)11-15(13,14)6-2/h11H,5-6H2,1-4H3.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 22204378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).