5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole

C11H14F2N4O2S — CID 19588868

IUPAC5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole
SMILESCCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)c(C)n1
InChIInChI=1S/C11H14F2N4O2S/c1-4-16-6-10(8(3)15-16)20(18,19)17-9(11(12)13)5-7(2)14-17/h5-6,11H,4H2,1-3H3
InChIKeyFZBNEFOWYHSJCY-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.89
Rot. Bonds4

About 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole

5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole (PubChem CID 19588868) has the molecular formula C11H14F2N4O2S and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole
PubChem CID19588868
Molecular FormulaC11H14F2N4O2S
Molecular Weight304.32 g/mol
Exact Mass304.08
IUPAC Name5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole
SMILESCCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)c(C)n1
InChIInChI=1S/C11H14F2N4O2S/c1-4-16-6-10(8(3)15-16)20(18,19)17-9(11(12)13)5-7(2)14-17/h5-6,11H,4H2,1-3H3
InChIKeyFZBNEFOWYHSJCY-UHFFFAOYSA-N
XLogP1.89
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089488
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089517
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 29089522
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 44822173
4-Methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 2795926
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
1-((1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 86266991
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
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)pyrazole-4-sulfonamide
CID 51853600
1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853676
N,N-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 132376483

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The IUPAC name of 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole (CID 19588868) is 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole is CCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)c(C)n1.
What is the InChIKey of 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The InChIKey is FZBNEFOWYHSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2S/c1-4-16-6-10(8(3)15-16)20(18,19)17-9(11(12)13)5-7(2)14-17/h5-6,11H,4H2,1-3H3.
What are the key properties of 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole has a molecular weight of 304.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 19588868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).