1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole

C11H14F2N4O2S — CID 46282679

IUPAC1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C11H14F2N4O2S/c1-4-10-15-7(2)6-16(10)20(18,19)9-5-14-17(8(9)3)11(12)13/h5-6,11H,4H2,1-3H3
InChIKeyMFSPYPZUEJXSRW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.89
Rot. Bonds4

About 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole

1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole (PubChem CID 46282679) has the molecular formula C11H14F2N4O2S and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole
PubChem CID46282679
Molecular FormulaC11H14F2N4O2S
Molecular Weight304.32 g/mol
Exact Mass304.08
IUPAC Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole
SMILESCCc1nc(C)cn1S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C11H14F2N4O2S/c1-4-10-15-7(2)6-16(10)20(18,19)9-5-14-17(8(9)3)11(12)13/h5-6,11H,4H2,1-3H3
InChIKeyMFSPYPZUEJXSRW-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole?
The IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole (CID 46282679) is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole.
What is the SMILES notation for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole?
The canonical SMILES for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole is CCc1nc(C)cn1S(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole?
The InChIKey is MFSPYPZUEJXSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2S/c1-4-10-15-7(2)6-16(10)20(18,19)9-5-14-17(8(9)3)11(12)13/h5-6,11H,4H2,1-3H3.
What are the key properties of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole?
1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole 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 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole is sourced from PubChem (CID 46282679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).