5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

C17H15Cl2FN4O — CID 57432934

IUPAC5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C17H15Cl2FN4O/c1-10(2)9-23-14(12-5-4-11(20)8-13(12)18)15(19)22-16(17(23)25)24-7-3-6-21-24/h3-8,10H,9H2,1-2H3
InChIKeyYMLCYQOZPMIJHT-UHFFFAOYSA-N
MW381.24 g/mol
LogP4.20
Rot. Bonds4

About 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 57432934) has the molecular formula C17H15Cl2FN4O and a molecular weight of 381.24 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID57432934
Molecular FormulaC17H15Cl2FN4O
Molecular Weight381.24 g/mol
Exact Mass380.06
IUPAC Name5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C17H15Cl2FN4O/c1-10(2)9-23-14(12-5-4-11(20)8-13(12)18)15(19)22-16(17(23)25)24-7-3-6-21-24/h3-8,10H,9H2,1-2H3
InChIKeyYMLCYQOZPMIJHT-UHFFFAOYSA-N
XLogP4.20
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 57432934) is 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is YMLCYQOZPMIJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4O/c1-10(2)9-23-14(12-5-4-11(20)8-13(12)18)15(19)22-16(17(23)25)24-7-3-6-21-24/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 381.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 57432934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).