N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide

C13H17N3O3S — CID 692885

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C13H17N3O3S/c1-4-20(18,19)14-12-10(2)15(3)16(13(12)17)11-8-6-5-7-9-11/h5-9,14H,4H2,1-3H3
InChIKeyYLCFLSPPBPMMJT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.25
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide (PubChem CID 692885) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide
PubChem CID692885
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C13H17N3O3S/c1-4-20(18,19)14-12-10(2)15(3)16(13(12)17)11-8-6-5-7-9-11/h5-9,14H,4H2,1-3H3
InChIKeyYLCFLSPPBPMMJT-UHFFFAOYSA-N
XLogP1.25
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide (CID 692885) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide is CCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide?
The InChIKey is YLCFLSPPBPMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-20(18,19)14-12-10(2)15(3)16(13(12)17)11-8-6-5-7-9-11/h5-9,14H,4H2,1-3H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 692885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).