4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C23H17Cl2N3O2 — CID 43856707

About 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43856707) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 43856707
• Molecular Formula: C23H17Cl2N3O2
• Molecular Weight: 438.31 g/mol
• Exact Mass: 437.07
• IUPAC Name: 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: Cc1ccc(-c2n[nH]c3c2C(c2ccc(Cl)c(Cl)c2)N(Cc2ccco2)C3=O)cc1
• InChI: InChI=1S/C23H17Cl2N3O2/c1-13-4-6-14(7-5-13)20-19-21(27-26-20)23(29)28(12-16-3-2-10-30-16)22(19)15-8-9-17(24)18(25)11-15/h2-11,22H,12H2,1H3,(H,26,27)
• InChIKey: SKAUYGFNNSSHRP-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.31
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The IUPAC name of 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43856707) is 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2C(c2ccc(Cl)c(Cl)c2)N(Cc2ccco2)C3=O)cc1.

What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

The InChIKey is SKAUYGFNNSSHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-13-4-6-14(7-5-13)20-19-21(27-26-20)23(29)28(12-16-3-2-10-30-16)22(19)15-8-9-17(24)18(25)11-15/h2-11,22H,12H2,1H3,(H,26,27).

What are the key properties of 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?

4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 438.31 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dichlorophenyl)-5-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43856707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).