7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one

C12H7Cl2N3O — CID 141219288

IUPAC7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one
SMILESCc1nn2c(c1-c1ccc(Cl)cc1Cl)N=CC2=O
InChIInChI=1S/C12H7Cl2N3O/c1-6-11(8-3-2-7(13)4-9(8)14)12-15-5-10(18)17(12)16-6/h2-5H,1H3
InChIKeyUZWZWAABGGPYJD-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.52
Rot. Bonds1

About 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one

7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one (PubChem CID 141219288) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one
PubChem CID141219288
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one
SMILESCc1nn2c(c1-c1ccc(Cl)cc1Cl)N=CC2=O
InChIInChI=1S/C12H7Cl2N3O/c1-6-11(8-3-2-7(13)4-9(8)14)12-15-5-10(18)17(12)16-6/h2-5H,1H3
InChIKeyUZWZWAABGGPYJD-UHFFFAOYSA-N
XLogP3.52
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one?
The IUPAC name of 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one (CID 141219288) is 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one?
The canonical SMILES for 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one is Cc1nn2c(c1-c1ccc(Cl)cc1Cl)N=CC2=O.
What is the InChIKey of 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one?
The InChIKey is UZWZWAABGGPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c1-6-11(8-3-2-7(13)4-9(8)14)12-15-5-10(18)17(12)16-6/h2-5H,1H3.
What are the key properties of 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one?
7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one has a molecular weight of 280.11 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-6-methylimidazo[2,1-e]pyrazol-3-one is sourced from PubChem (CID 141219288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).