1-(benzenesulfonyl)-4-ethylpyrazol-3-amine

C11H13N3O2S — CID 972867

IUPAC1-(benzenesulfonyl)-4-ethylpyrazol-3-amine
SMILESCCc1cn(S(=O)(=O)c2ccccc2)nc1N
InChIInChI=1S/C11H13N3O2S/c1-2-9-8-14(13-11(9)12)17(15,16)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,12,13)
InChIKeyFXUCLPYWWCETGB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.26
Rot. Bonds3

About 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine

1-(benzenesulfonyl)-4-ethylpyrazol-3-amine (PubChem CID 972867) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-ethylpyrazol-3-amine
PubChem CID972867
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(benzenesulfonyl)-4-ethylpyrazol-3-amine
SMILESCCc1cn(S(=O)(=O)c2ccccc2)nc1N
InChIInChI=1S/C11H13N3O2S/c1-2-9-8-14(13-11(9)12)17(15,16)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,12,13)
InChIKeyFXUCLPYWWCETGB-UHFFFAOYSA-N
XLogP1.26
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine (CID 972867) is 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine is CCc1cn(S(=O)(=O)c2ccccc2)nc1N.
What is the InChIKey of 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine?
The InChIKey is FXUCLPYWWCETGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-9-8-14(13-11(9)12)17(15,16)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,12,13).
What are the key properties of 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine?
1-(benzenesulfonyl)-4-ethylpyrazol-3-amine has a molecular weight of 251.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-ethylpyrazol-3-amine is sourced from PubChem (CID 972867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).