7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C22H15Cl2FN4O — CID 22591526

IUPAC7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(-c3c(Cl)cccc3Cl)n2)n2n1CCC2
InChIInChI=1S/C22H15Cl2FN4O/c23-15-3-1-4-16(24)19(15)21-26-10-9-17(27-21)20-18(13-5-7-14(25)8-6-13)22(30)29-12-2-11-28(20)29/h1,3-10H,2,11-12H2
InChIKeyKQMBLYSEOAWCCD-UHFFFAOYSA-N
MW441.29 g/mol
LogP5.29
Rot. Bonds3

About 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 22591526) has the molecular formula C22H15Cl2FN4O and a molecular weight of 441.29 g/mol. Its IUPAC name is 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
PubChem CID22591526
Molecular FormulaC22H15Cl2FN4O
Molecular Weight441.29 g/mol
Exact Mass440.06
IUPAC Name7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(-c3c(Cl)cccc3Cl)n2)n2n1CCC2
InChIInChI=1S/C22H15Cl2FN4O/c23-15-3-1-4-16(24)19(15)21-26-10-9-17(27-21)20-18(13-5-7-14(25)8-6-13)22(30)29-12-2-11-28(20)29/h1,3-10H,2,11-12H2
InChIKeyKQMBLYSEOAWCCD-UHFFFAOYSA-N
XLogP5.29
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.29
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-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 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 22591526) is 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(-c3c(Cl)cccc3Cl)n2)n2n1CCC2.
What is the InChIKey of 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is KQMBLYSEOAWCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O/c23-15-3-1-4-16(24)19(15)21-26-10-9-17(27-21)20-18(13-5-7-14(25)8-6-13)22(30)29-12-2-11-28(20)29/h1,3-10H,2,11-12H2.
What are the key properties of 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 441.29 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 22591526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).