2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one

C23H21Cl2N3O — CID 11453058

IUPAC2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2c(nn(-c3ccccc3Cl)c2-c2ccccc2Cl)CN1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-17-11-5-4-10-16(17)22-21-19(26-28(22)20-13-7-6-12-18(20)25)14-27(23(21)29)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2
InChIKeyPWYNDSQYOYCOQM-UHFFFAOYSA-N
MW426.35 g/mol
LogP6.13
Rot. Bonds3

About 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one

2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 11453058) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID11453058
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2c(nn(-c3ccccc3Cl)c2-c2ccccc2Cl)CN1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-17-11-5-4-10-16(17)22-21-19(26-28(22)20-13-7-6-12-18(20)25)14-27(23(21)29)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2
InChIKeyPWYNDSQYOYCOQM-UHFFFAOYSA-N
XLogP6.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 56.13
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
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CID 11453059
3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 11304848
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CID 69157834
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2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(9-amino-2-cyclopentyl-1-oxo-3H-pyrrolo[3,4-b]quinolin-5-yl)benzonitrile
CID 59868314
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 11453058) is 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2c(nn(-c3ccccc3Cl)c2-c2ccccc2Cl)CN1C1CCCCC1.
What is the InChIKey of 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is PWYNDSQYOYCOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-17-11-5-4-10-16(17)22-21-19(26-28(22)20-13-7-6-12-18(20)25)14-27(23(21)29)15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2.
What are the key properties of 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one?
2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 426.35 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 11453058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).