2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

C21H19Cl2N3O — CID 11440962

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)N1C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2C1C
InChIInChI=1S/C21H19Cl2N3O/c1-12(2)25-13(3)18-19(21(25)27)24-26(17-7-5-4-6-16(17)23)20(18)14-8-10-15(22)11-9-14/h4-13H,1-3H3
InChIKeyCABXVHSBRHBEBF-UHFFFAOYSA-N
MW400.31 g/mol
LogP5.77
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 11440962) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID11440962
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)N1C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2C1C
InChIInChI=1S/C21H19Cl2N3O/c1-12(2)25-13(3)18-19(21(25)27)24-26(17-7-5-4-6-16(17)23)20(18)14-8-10-15(22)11-9-14/h4-13H,1-3H3
InChIKeyCABXVHSBRHBEBF-UHFFFAOYSA-N
XLogP5.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 11384765
3,5-bis(4-bromophenyl)-1-(2-chlorophenyl)-4-methylpyrazole
CID 17025628
4-chloro-1-(2-chlorophenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587147
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2,2-difluoropropyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-one
CID 11270848
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-ethyl-6-(2,2,2-trifluoroethyl)pyrazolo[4,3-d]pyrimidin-7-one
CID 11202164
4-[2-(2-chlorophenyl)-4-oxo-5-propan-2-yl-6,7-dihydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 69157995
2-(2-chlorophenyl)-4-phenylphthalazin-1-one
CID 69161098
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-nitrosopyrazole
CID 141115199
4-chloro-1-(2-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19586926
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
1-[1-(4-chlorophenyl)cyclopropyl]ethyl N-amino-1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylsulfinylpyrazole-3-carboximidothioate
CID 90881744

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 11440962) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)N1C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2C1C.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CABXVHSBRHBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c1-12(2)25-13(3)18-19(21(25)27)24-26(17-7-5-4-6-16(17)23)20(18)14-8-10-15(22)11-9-14/h4-13H,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 400.31 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-4-methyl-5-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 11440962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).