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

C19H21N3O3S — CID 1377856

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-15-10-12-17(13-11-15)26(24,25)20-18-14(2)21(3)22(19(18)23)16-8-6-5-7-9-16/h5-13,20H,4H2,1-3H3
InChIKeyQHOYTHLPKFOUHL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.85
Rot. Bonds5

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide (PubChem CID 1377856) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
PubChem CID1377856
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H21N3O3S/c1-4-15-10-12-17(13-11-15)26(24,25)20-18-14(2)21(3)22(19(18)23)16-8-6-5-7-9-16/h5-13,20H,4H2,1-3H3
InChIKeyQHOYTHLPKFOUHL-UHFFFAOYSA-N
XLogP2.85
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.85
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)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide (CID 1377856) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
The InChIKey is QHOYTHLPKFOUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-15-10-12-17(13-11-15)26(24,25)20-18-14(2)21(3)22(19(18)23)16-8-6-5-7-9-16/h5-13,20H,4H2,1-3H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.85, 5 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)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 1377856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).