5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

C27H32Cl2N4O2 — CID 71586368

About 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one

5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 71586368) has the molecular formula C27H32Cl2N4O2 and a molecular weight of 515.49 g/mol. Its IUPAC name is 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 71586368
• Molecular Formula: C27H32Cl2N4O2
• Molecular Weight: 515.49 g/mol
• Exact Mass: 514.19
• IUPAC Name: 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
• SMILES: CCn1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O
• InChI: InChI=1S/C27H32Cl2N4O2/c1-7-32-25(16(2)3)23-24(30-32)27(34)33(26(23)20-10-8-18(28)14-17(20)4)21-15-19(29)9-11-22(21)35-13-12-31(5)6/h8-11,14-16,26H,7,12-13H2,1-6H3
• InChIKey: ZYJZAJSSCZJWTL-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.49
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?

The IUPAC name of 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 71586368) is 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one.

What is the SMILES notation for 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?

The canonical SMILES for 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is CCn1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O.

What is the InChIKey of 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?

The InChIKey is ZYJZAJSSCZJWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O2/c1-7-32-25(16(2)3)23-24(30-32)27(34)33(26(23)20-10-8-18(28)14-17(20)4)21-15-19(29)9-11-22(21)35-13-12-31(5)6/h8-11,14-16,26H,7,12-13H2,1-6H3.

What are the key properties of 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one?

5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 515.49 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-chloro-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloro-2-methylphenyl)-2-ethyl-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 71586368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).