3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H16Cl3N3O — CID 43857767

IUPAC3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl3N3O/c1-10(2)26-19(12-5-8-14(22)15(23)9-12)16-17(24-25-18(16)20(26)27)11-3-6-13(21)7-4-11/h3-10,19H,1-2H3,(H,24,25)
InChIKeyJMIQCPOUFJDPPZ-UHFFFAOYSA-N
MW420.73 g/mol
LogP5.99
Rot. Bonds3

About 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857767) has the molecular formula C20H16Cl3N3O and a molecular weight of 420.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43857767
Molecular FormulaC20H16Cl3N3O
Molecular Weight420.73 g/mol
Exact Mass419.04
IUPAC Name3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl3N3O/c1-10(2)26-19(12-5-8-14(22)15(23)9-12)16-17(24-25-18(16)20(26)27)11-3-6-13(21)7-4-11/h3-10,19H,1-2H3,(H,24,25)
InChIKeyJMIQCPOUFJDPPZ-UHFFFAOYSA-N
XLogP5.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857529
3,4-diphenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855100
3-(4-chlorophenyl)-5-[(2-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857786
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858899
4-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-(2-methylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858845
5-tert-butyl-4-(3,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855633
4-(3,4-dichlorophenyl)-3-(4-methylphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856717
4-(3,4-diethoxyphenyl)-3-phenyl-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855753
3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857500
4-(3,4-dichlorophenyl)-5-[(4-methylphenyl)methyl]-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855634
3-phenyl-4-(4-phenylmethoxyphenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856076
3,4-bis(4-chlorophenyl)-5-cyclopentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857729

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857767) is 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CC(C)N1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is JMIQCPOUFJDPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O/c1-10(2)26-19(12-5-8-14(22)15(23)9-12)16-17(24-25-18(16)20(26)27)11-3-6-13(21)7-4-11/h3-10,19H,1-2H3,(H,24,25).
What are the key properties of 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 420.73 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-5-propan-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).