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

C12H17F2N5O2S — CID 19576590

IUPAC1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)cnn1C
InChIInChI=1S/C12H17F2N5O2S/c1-8-10(5-15-18(8)4)7-17(3)22(20,21)11-6-16-19(9(11)2)12(13)14/h5-6,12H,7H2,1-4H3
InChIKeyJTVFQKQSSGUOES-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.45
Rot. Bonds5

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

1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19576590) has the molecular formula C12H17F2N5O2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19576590
Molecular FormulaC12H17F2N5O2S
Molecular Weight333.36 g/mol
Exact Mass333.11
IUPAC Name1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)cnn1C
InChIInChI=1S/C12H17F2N5O2S/c1-8-10(5-15-18(8)4)7-17(3)22(20,21)11-6-16-19(9(11)2)12(13)14/h5-6,12H,7H2,1-4H3
InChIKeyJTVFQKQSSGUOES-UHFFFAOYSA-N
XLogP1.45
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (CID 19576590) is 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is Cc1c(CN(C)S(=O)(=O)c2cnn(C(F)F)c2C)cnn1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is JTVFQKQSSGUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O2S/c1-8-10(5-15-18(8)4)7-17(3)22(20,21)11-6-16-19(9(11)2)12(13)14/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 333.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19576590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).