5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one

C19H19Cl2FN4O — CID 57432932

IUPAC5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one
SMILESCCC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2ccc(C)n2)c1=O
InChIInChI=1S/C19H19Cl2FN4O/c1-4-11(2)10-25-16(14-6-5-13(22)9-15(14)20)17(21)23-18(19(25)27)26-8-7-12(3)24-26/h5-9,11H,4,10H2,1-3H3
InChIKeySABNADJZSYFOIO-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.90
Rot. Bonds5

About 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one

5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one (PubChem CID 57432932) has the molecular formula C19H19Cl2FN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one
PubChem CID57432932
Molecular FormulaC19H19Cl2FN4O
Molecular Weight409.29 g/mol
Exact Mass408.09
IUPAC Name5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one
SMILESCCC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2ccc(C)n2)c1=O
InChIInChI=1S/C19H19Cl2FN4O/c1-4-11(2)10-25-16(14-6-5-13(22)9-15(14)20)17(21)23-18(19(25)27)26-8-7-12(3)24-26/h5-9,11H,4,10H2,1-3H3
InChIKeySABNADJZSYFOIO-UHFFFAOYSA-N
XLogP4.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-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-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one?
The IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one (CID 57432932) is 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one?
The canonical SMILES for 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one is CCC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2ccc(C)n2)c1=O.
What is the InChIKey of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one?
The InChIKey is SABNADJZSYFOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN4O/c1-4-11(2)10-25-16(14-6-5-13(22)9-15(14)20)17(21)23-18(19(25)27)26-8-7-12(3)24-26/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one?
5-chloro-6-(2-chloro-4-fluorophenyl)-1-(2-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one has a molecular weight of 409.29 g/mol, XLogP of 4.90, 5 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-methylbutyl)-3-(3-methylpyrazol-1-yl)pyrazin-2-one is sourced from PubChem (CID 57432932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).