1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide

C22H20Cl2N6O4 — CID 24948455

About 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 24948455) has the molecular formula C22H20Cl2N6O4 and a molecular weight of 503.35 g/mol. Its IUPAC name is 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
• PubChem CID: 24948455
• Molecular Formula: C22H20Cl2N6O4
• Molecular Weight: 503.35 g/mol
• Exact Mass: 502.09
• IUPAC Name: 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
• SMILES: CC1(C)c2[nH]nc(NC(=O)c3ccc(C(=O)NO)cc3)c2CN1C(=O)Nc1c(Cl)cccc1Cl
• InChI: InChI=1S/C22H20Cl2N6O4/c1-22(2)17-13(10-30(22)21(33)25-16-14(23)4-3-5-15(16)24)18(28-27-17)26-19(31)11-6-8-12(9-7-11)20(32)29-34/h3-9,34H,10H2,1-2H3,(H,25,33)(H,29,32)(H2,26,27,28,31)
• InChIKey: UGMWZFUNQMGINV-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 139.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.35
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide?

The IUPAC name of 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 24948455) is 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide.

What is the SMILES notation for 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide?

The canonical SMILES for 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide is CC1(C)c2[nH]nc(NC(=O)c3ccc(C(=O)NO)cc3)c2CN1C(=O)Nc1c(Cl)cccc1Cl.

What is the InChIKey of 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide?

The InChIKey is UGMWZFUNQMGINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O4/c1-22(2)17-13(10-30(22)21(33)25-16-14(23)4-3-5-15(16)24)18(28-27-17)26-19(31)11-6-8-12(9-7-11)20(32)29-34/h3-9,34H,10H2,1-2H3,(H,25,33)(H,29,32)(H2,26,27,28,31).

What are the key properties of 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide?

1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 503.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[5-[(2,6-dichlorophenyl)carbamoyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 24948455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).