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

C19H21N3O3S — CID 2862432

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-13-10-11-17(14(2)12-13)26(24,25)20-18-15(3)21(4)22(19(18)23)16-8-6-5-7-9-16/h5-12,20H,1-4H3
InChIKeyWCYPRXUOSYYPAR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.90
Rot. Bonds4

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 2862432) 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)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID2862432
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-13-10-11-17(14(2)12-13)26(24,25)20-18-15(3)21(4)22(19(18)23)16-8-6-5-7-9-16/h5-12,20H,1-4H3
InChIKeyWCYPRXUOSYYPAR-UHFFFAOYSA-N
XLogP2.90
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.90
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)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide (CID 2862432) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is WCYPRXUOSYYPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-10-11-17(14(2)12-13)26(24,25)20-18-15(3)21(4)22(19(18)23)16-8-6-5-7-9-16/h5-12,20H,1-4H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.90, 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)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2862432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).