5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole

C9H10F2N4O2S — CID 19588930

IUPAC5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
SMILESCc1cc(C(F)F)n(S(=O)(=O)c2cnn(C)c2)n1
InChIInChI=1S/C9H10F2N4O2S/c1-6-3-8(9(10)11)15(13-6)18(16,17)7-4-12-14(2)5-7/h3-5,9H,1-2H3
InChIKeyMLZMOJCJFDEUMF-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.10
Rot. Bonds3

About 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole

5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole (PubChem CID 19588930) has the molecular formula C9H10F2N4O2S and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
PubChem CID19588930
Molecular FormulaC9H10F2N4O2S
Molecular Weight276.27 g/mol
Exact Mass276.05
IUPAC Name5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole
SMILESCc1cc(C(F)F)n(S(=O)(=O)c2cnn(C)c2)n1
InChIInChI=1S/C9H10F2N4O2S/c1-6-3-8(9(10)11)15(13-6)18(16,17)7-4-12-14(2)5-7/h3-5,9H,1-2H3
InChIKeyMLZMOJCJFDEUMF-UHFFFAOYSA-N
XLogP1.10
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19516555
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-(1-methylpyrazol-4-yl)sulfonylpyrazole-3-carboxylic acid
CID 25248117
1-methylpyrazole-4-sulfonyl bromide
CID 130493718
1-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 155945046
1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 19527393
N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 114051204
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
CID 95846072
1-(1-methylpyrazol-4-yl)sulfonyl-6-(trifluoromethyl)piperidin-3-amine
CID 154735513
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
The IUPAC name of 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole (CID 19588930) is 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole is Cc1cc(C(F)F)n(S(=O)(=O)c2cnn(C)c2)n1.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
The InChIKey is MLZMOJCJFDEUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O2S/c1-6-3-8(9(10)11)15(13-6)18(16,17)7-4-12-14(2)5-7/h3-5,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole?
5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole has a molecular weight of 276.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrazole is sourced from PubChem (CID 19588930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).