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

C13H19F2N5O2S — CID 29089299

IUPAC1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-8-11(6-18(4)16-8)7-19(5)23(21,22)12-9(2)17-20(10(12)3)13(14)15/h6,13H,7H2,1-5H3
InChIKeyPZYWJBMHBJAZNO-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.76
Rot. Bonds5

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

1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 29089299) has the molecular formula C13H19F2N5O2S and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID29089299
Molecular FormulaC13H19F2N5O2S
Molecular Weight347.39 g/mol
Exact Mass347.12
IUPAC Name1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-8-11(6-18(4)16-8)7-19(5)23(21,22)12-9(2)17-20(10(12)3)13(14)15/h6,13H,7H2,1-5H3
InChIKeyPZYWJBMHBJAZNO-UHFFFAOYSA-N
XLogP1.76
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide (CID 29089299) is 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is PZYWJBMHBJAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O2S/c1-8-11(6-18(4)16-8)7-19(5)23(21,22)12-9(2)17-20(10(12)3)13(14)15/h6,13H,7H2,1-5H3.
What are the key properties of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 347.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).