3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide

C14H17N3O2S — CID 19681810

IUPAC3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C14H17N3O2S/c1-4-10-15-20(18,19)14-11(2)16-17(12(14)3)13-8-6-5-7-9-13/h4-9,15H,1,10H2,2-3H3
InChIKeyAIJUOUACBAIRIX-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.95
Rot. Bonds5

About 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide

3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide (PubChem CID 19681810) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
PubChem CID19681810
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C14H17N3O2S/c1-4-10-15-20(18,19)14-11(2)16-17(12(14)3)13-8-6-5-7-9-13/h4-9,15H,1,10H2,2-3H3
InChIKeyAIJUOUACBAIRIX-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
CID 19682229
N-(furan-2-ylmethyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17375842
3,5-dimethyl-1-phenyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684333
2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513628
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095
3,5-dimethyl-N-[3-(4-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 22207256
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
2,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191229
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094
N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22772410

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide (CID 19681810) is 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide is C=CCNS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide?
The InChIKey is AIJUOUACBAIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-10-15-20(18,19)14-11(2)16-17(12(14)3)13-8-6-5-7-9-13/h4-9,15H,1,10H2,2-3H3.
What are the key properties of 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide?
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).