4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole

C11H14F2N4O2S — CID 19588865

IUPAC4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1cc(C(F)F)n(S(=O)(=O)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H14F2N4O2S/c1-6-5-9(11(12)13)17(14-6)20(18,19)10-7(2)15-16(4)8(10)3/h5,11H,1-4H3
InChIKeyIVRXWVQWQVOESP-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.72
Rot. Bonds3

About 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole

4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole (PubChem CID 19588865) has the molecular formula C11H14F2N4O2S and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole
PubChem CID19588865
Molecular FormulaC11H14F2N4O2S
Molecular Weight304.32 g/mol
Exact Mass304.08
IUPAC Name4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1cc(C(F)F)n(S(=O)(=O)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C11H14F2N4O2S/c1-6-5-9(11(12)13)17(14-6)20(18,19)10-7(2)15-16(4)8(10)3/h5,11H,1-4H3
InChIKeyIVRXWVQWQVOESP-UHFFFAOYSA-N
XLogP1.72
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 49670912
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
1-Ethyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)imide
CID 134716401
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853561
4-{[5-(difluoromethyl)-3-methyl-1H-pyrazol-1-yl]sulfonyl}-1,3-dimethyl-1H-pyrazole
CID 19587891
5-(Difluoromethyl)-1-[(1-ethyl-1H-pyrazol-4-YL)sulfonyl]-3-methyl-1H-pyrazole
CID 19588726
4-{[5-(Difluoromethyl)-3-methyl-1H-pyrazol-1-YL]sulfonyl}-1-ethyl-3-methyl-1H-pyrazole
CID 19588868
5-(Difluoromethyl)-3-methyl-1H-pyrazol-1-YL (1-methyl-1H-pyrazol-4-YL) sulfone
CID 19588930
1-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 29089299
1-(difluoromethyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 29089300
1-(difluoromethyl)-N,3,5-trimethyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 29089301

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole (CID 19588865) is 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole is Cc1cc(C(F)F)n(S(=O)(=O)c2c(C)nn(C)c2C)n1.
What is the InChIKey of 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The InChIKey is IVRXWVQWQVOESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2S/c1-6-5-9(11(12)13)17(14-6)20(18,19)10-7(2)15-16(4)8(10)3/h5,11H,1-4H3.
What are the key properties of 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole has a molecular weight of 304.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 19588865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).