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

C23H21Cl2N3O — CID 43857671

IUPAC4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-15-12-10-14(11-13-15)20-19-21(27-26-20)23(29)28(16-6-2-1-3-7-16)22(19)17-8-4-5-9-18(17)25/h4-5,8-13,16,22H,1-3,6-7H2,(H,26,27)
InChIKeyIZJLALNTVFPRJX-UHFFFAOYSA-N
MW426.35 g/mol
LogP6.26
Rot. Bonds3

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

4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857671) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43857671
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-15-12-10-14(11-13-15)20-19-21(27-26-20)23(29)28(16-6-2-1-3-7-16)22(19)17-8-4-5-9-18(17)25/h4-5,8-13,16,22H,1-3,6-7H2,(H,26,27)
InChIKeyIZJLALNTVFPRJX-UHFFFAOYSA-N
XLogP6.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-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-bis(4-chlorophenyl)-5-cyclopentyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857729
4-(4-chlorophenyl)-5-cyclopentyl-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856670
3-(4-chlorophenyl)-5-cyclohexyl-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857433
4-(4-chlorophenyl)-5-cyclohexyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858804
5-cyclohexyl-4-(3,4-dichlorophenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855632
3-(4-chlorophenyl)-5-cyclopentyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858235
3-(4-chlorophenyl)-5-cyclohexyl-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857329
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857670
4-[4-[(2-chlorophenyl)methoxy]phenyl]-5-cyclohexyl-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857200
5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856224
3-(4-chlorophenyl)-5-cyclohexyl-4-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858257
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(2-methoxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857668

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857671) is 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1C1CCCCC1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is IZJLALNTVFPRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-15-12-10-14(11-13-15)20-19-21(27-26-20)23(29)28(16-6-2-1-3-7-16)22(19)17-8-4-5-9-18(17)25/h4-5,8-13,16,22H,1-3,6-7H2,(H,26,27).
What are the key properties of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 426.35 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).