1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide

C13H19F2N5O2S — CID 19576557

IUPAC1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-5-19-9(2)11(6-16-19)8-18(4)23(21,22)12-7-17-20(10(12)3)13(14)15/h6-7,13H,5,8H2,1-4H3
InChIKeyREHRDSKWSFMJDP-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.93
Rot. Bonds6

About 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19576557) has the molecular formula C13H19F2N5O2S and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19576557
Molecular FormulaC13H19F2N5O2S
Molecular Weight347.39 g/mol
Exact Mass347.12
IUPAC Name1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-5-19-9(2)11(6-16-19)8-18(4)23(21,22)12-7-17-20(10(12)3)13(14)15/h6-7,13H,5,8H2,1-4H3
InChIKeyREHRDSKWSFMJDP-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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (CID 19576557) is 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is CCn1ncc(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is REHRDSKWSFMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O2S/c1-5-19-9(2)11(6-16-19)8-18(4)23(21,22)12-7-17-20(10(12)3)13(14)15/h6-7,13H,5,8H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-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-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19576557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).