5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H25N3O — CID 43856224

IUPAC5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccc(C)cc2)N(C2CCCC2)C3=O)cc1
InChIInChI=1S/C24H25N3O/c1-15-7-11-17(12-8-15)21-20-22(26-25-21)24(28)27(19-5-3-4-6-19)23(20)18-13-9-16(2)10-14-18/h7-14,19,23H,3-6H2,1-2H3,(H,25,26)
InChIKeyFOABMTNCGQWQKX-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.18
Rot. Bonds3

About 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43856224) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43856224
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccc(C)cc2)N(C2CCCC2)C3=O)cc1
InChIInChI=1S/C24H25N3O/c1-15-7-11-17(12-8-15)21-20-22(26-25-21)24(28)27(19-5-3-4-6-19)23(20)18-13-9-16(2)10-14-18/h7-14,19,23H,3-6H2,1-2H3,(H,25,26)
InChIKeyFOABMTNCGQWQKX-UHFFFAOYSA-N
XLogP5.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43856224) is 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2C(c2ccc(C)cc2)N(C2CCCC2)C3=O)cc1.
What is the InChIKey of 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is FOABMTNCGQWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-15-7-11-17(12-8-15)21-20-22(26-25-21)24(28)27(19-5-3-4-6-19)23(20)18-13-9-16(2)10-14-18/h7-14,19,23H,3-6H2,1-2H3,(H,25,26).
What are the key properties of 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 371.48 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3,4-bis(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43856224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).