N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C21H25N3O2S — CID 22201074

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C21H25N3O2S/c1-14-11-12-20(15(2)13-14)16(3)23-27(25,26)21-17(4)22-24(18(21)5)19-9-7-6-8-10-19/h6-13,16,23H,1-5H3
InChIKeyYPFMUDRIHSJECO-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22201074) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22201074
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C21H25N3O2S/c1-14-11-12-20(15(2)13-14)16(3)23-27(25,26)21-17(4)22-24(18(21)5)19-9-7-6-8-10-19/h6-13,16,23H,1-5H3
InChIKeyYPFMUDRIHSJECO-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773683
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4674116
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22201074) is N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is YPFMUDRIHSJECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-11-12-20(15(2)13-14)16(3)23-27(25,26)21-17(4)22-24(18(21)5)19-9-7-6-8-10-19/h6-13,16,23H,1-5H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22201074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).