4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile

C19H10F2N4O — CID 46215580

IUPAC4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile
SMILESCc1nn2c(c1-c1ccc(F)cc1F)N=C(c1ccc(C#N)cc1)C2=O
InChIInChI=1S/C19H10F2N4O/c1-10-16(14-7-6-13(20)8-15(14)21)18-23-17(19(26)25(18)24-10)12-4-2-11(9-22)3-5-12/h2-8H,1H3
InChIKeyNVIDICSUPUZXMC-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.78
Rot. Bonds2

About 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile

4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile (PubChem CID 46215580) has the molecular formula C19H10F2N4O and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile
PubChem CID46215580
Molecular FormulaC19H10F2N4O
Molecular Weight348.31 g/mol
Exact Mass348.08
IUPAC Name4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile
SMILESCc1nn2c(c1-c1ccc(F)cc1F)N=C(c1ccc(C#N)cc1)C2=O
InChIInChI=1S/C19H10F2N4O/c1-10-16(14-7-6-13(20)8-15(14)21)18-23-17(19(26)25(18)24-10)12-4-2-11(9-22)3-5-12/h2-8H,1H3
InChIKeyNVIDICSUPUZXMC-UHFFFAOYSA-N
XLogP3.78
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile?
The IUPAC name of 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile (CID 46215580) is 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile?
The canonical SMILES for 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile is Cc1nn2c(c1-c1ccc(F)cc1F)N=C(c1ccc(C#N)cc1)C2=O.
What is the InChIKey of 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile?
The InChIKey is NVIDICSUPUZXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F2N4O/c1-10-16(14-7-6-13(20)8-15(14)21)18-23-17(19(26)25(18)24-10)12-4-2-11(9-22)3-5-12/h2-8H,1H3.
What are the key properties of 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile?
4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile has a molecular weight of 348.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2,4-difluorophenyl)-6-methyl-3-oxoimidazo[2,1-e]pyrazol-2-yl]benzonitrile is sourced from PubChem (CID 46215580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).