1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide

C11H15F2N3O2S — CID 19614471

IUPAC1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C11H15F2N3O2S/c1-4-6-15(7-5-2)19(17,18)10-8-14-16(9(10)3)11(12)13/h4-5,8,11H,1-2,6-7H2,3H3
InChIKeyKEGPISHMJOVQCO-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.95
Rot. Bonds7

About 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide (PubChem CID 19614471) has the molecular formula C11H15F2N3O2S and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
PubChem CID19614471
Molecular FormulaC11H15F2N3O2S
Molecular Weight291.32 g/mol
Exact Mass291.09
IUPAC Name1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C11H15F2N3O2S/c1-4-6-15(7-5-2)19(17,18)10-8-14-16(9(10)3)11(12)13/h4-5,8,11H,1-2,6-7H2,3H3
InChIKeyKEGPISHMJOVQCO-UHFFFAOYSA-N
XLogP1.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.95
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 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide (CID 19614471) is 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
The InChIKey is KEGPISHMJOVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2S/c1-4-6-15(7-5-2)19(17,18)10-8-14-16(9(10)3)11(12)13/h4-5,8,11H,1-2,6-7H2,3H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N,N-bis(prop-2-enyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19614471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).