1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide

C13H19F2N5O2S — CID 29089772

IUPAC1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-5-19-10(3)12(9(2)17-19)8-18(4)23(21,22)11-6-16-20(7-11)13(14)15/h6-7,13H,5,8H2,1-4H3
InChIKeyXNHUKBSAEMMADL-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.93
Rot. Bonds6

About 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide (PubChem CID 29089772) has the molecular formula C13H19F2N5O2S and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide
PubChem CID29089772
Molecular FormulaC13H19F2N5O2S
Molecular Weight347.39 g/mol
Exact Mass347.12
IUPAC Name1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-5-19-10(3)12(9(2)17-19)8-18(4)23(21,22)11-6-16-20(7-11)13(14)15/h6-7,13H,5,8H2,1-4H3
InChIKeyXNHUKBSAEMMADL-UHFFFAOYSA-N
XLogP1.93
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide (CID 29089772) is 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide is CCn1nc(C)c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide?
The InChIKey is XNHUKBSAEMMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O2S/c1-5-19-10(3)12(9(2)17-19)8-18(4)23(21,22)11-6-16-20(7-11)13(14)15/h6-7,13H,5,8H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide has a molecular weight of 347.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).