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

C22H15Cl2N3O2 — CID 43857660

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

4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43857660) has the molecular formula C22H15Cl2N3O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

• Compound Name: 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• PubChem CID: 43857660
• Molecular Formula: C22H15Cl2N3O2
• Molecular Weight: 424.29 g/mol
• Exact Mass: 423.05
• IUPAC Name: 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
• SMILES: O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1Cc1ccco1
• InChI: InChI=1S/C22H15Cl2N3O2/c23-14-9-7-13(8-10-14)19-18-20(26-25-19)22(28)27(12-15-4-3-11-29-15)21(18)16-5-1-2-6-17(16)24/h1-11,21H,12H2,(H,25,26)
• InChIKey: IFIRWKOPWLVQHU-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 62.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.29
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43857660) is 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

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

The canonical SMILES for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2C(c2ccccc2Cl)N1Cc1ccco1.

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

The InChIKey is IFIRWKOPWLVQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2/c23-14-9-7-13(8-10-14)19-18-20(26-25-19)22(28)27(12-15-4-3-11-29-15)21(18)16-5-1-2-6-17(16)24/h1-11,21H,12H2,(H,25,26).

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

4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 424.29 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(furan-2-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43857660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).