2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one

C19H10F5N3O — CID 46216084

IUPAC2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one
SMILESCc1nn2c(c1-c1ccc(C(F)(F)F)cc1)N=C(c1ccc(F)cc1F)C2=O
InChIInChI=1S/C19H10F5N3O/c1-9-15(10-2-4-11(5-3-10)19(22,23)24)17-25-16(18(28)27(17)26-9)13-7-6-12(20)8-14(13)21/h2-8H,1H3
InChIKeyCJIRQUUKJWBIMB-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.93
Rot. Bonds2

About 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one

2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one (PubChem CID 46216084) has the molecular formula C19H10F5N3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one
PubChem CID46216084
Molecular FormulaC19H10F5N3O
Molecular Weight391.30 g/mol
Exact Mass391.07
IUPAC Name2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one
SMILESCc1nn2c(c1-c1ccc(C(F)(F)F)cc1)N=C(c1ccc(F)cc1F)C2=O
InChIInChI=1S/C19H10F5N3O/c1-9-15(10-2-4-11(5-3-10)19(22,23)24)17-25-16(18(28)27(17)26-9)13-7-6-12(20)8-14(13)21/h2-8H,1H3
InChIKeyCJIRQUUKJWBIMB-UHFFFAOYSA-N
XLogP4.93
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one?
The IUPAC name of 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one (CID 46216084) is 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one is Cc1nn2c(c1-c1ccc(C(F)(F)F)cc1)N=C(c1ccc(F)cc1F)C2=O.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one?
The InChIKey is CJIRQUUKJWBIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N3O/c1-9-15(10-2-4-11(5-3-10)19(22,23)24)17-25-16(18(28)27(17)26-9)13-7-6-12(20)8-14(13)21/h2-8H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one?
2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one has a molecular weight of 391.30 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-methyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-3-one is sourced from PubChem (CID 46216084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).