4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C24H19N3O2 — CID 2878506

IUPAC4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-19-14-12-17(13-15-19)23-20-21(16-8-4-2-5-9-16)25-26-22(20)24(28)27(23)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,25,26)
InChIKeyTWFGNMLMXNPMAZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.84
Rot. Bonds4

About 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 2878506) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID2878506
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCOc1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-19-14-12-17(13-15-19)23-20-21(16-8-4-2-5-9-16)25-26-22(20)24(28)27(23)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,25,26)
InChIKeyTWFGNMLMXNPMAZ-UHFFFAOYSA-N
XLogP4.84
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 2878506) is 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is COc1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is TWFGNMLMXNPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-19-14-12-17(13-15-19)23-20-21(16-8-4-2-5-9-16)25-26-22(20)24(28)27(23)18-10-6-3-7-11-18/h2-15,23H,1H3,(H,25,26).
What are the key properties of 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 381.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 2878506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).