3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide

C17H21N3O2S — CID 19682229

IUPAC3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H21N3O2S/c1-5-12-19(13-6-2)23(21,22)17-14(3)18-20(15(17)4)16-10-8-7-9-11-16/h5-11H,1-2,12-13H2,3-4H3
InChIKeyXLSJXWYROJHNCV-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.85
Rot. Bonds7

About 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide

3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide (PubChem CID 19682229) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
PubChem CID19682229
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H21N3O2S/c1-5-12-19(13-6-2)23(21,22)17-14(3)18-20(15(17)4)16-10-8-7-9-11-16/h5-11H,1-2,12-13H2,3-4H3
InChIKeyXLSJXWYROJHNCV-UHFFFAOYSA-N
XLogP2.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide (CID 19682229) is 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
The InChIKey is XLSJXWYROJHNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-12-19(13-6-2)23(21,22)17-14(3)18-20(15(17)4)16-10-8-7-9-11-16/h5-11H,1-2,12-13H2,3-4H3.
What are the key properties of 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19682229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).