N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C27H30N6O5 — CID 72637012

About N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 72637012) has the molecular formula C27H30N6O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
• PubChem CID: 72637012
• Molecular Formula: C27H30N6O5
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.23
• IUPAC Name: N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NCC2CN(c3ccc4c(c3)CCCC(C(=O)c3cc(C)nn3C)C4=O)C(=O)O2)n(C)n1
• InChI: InChI=1S/C27H30N6O5/c1-15-10-22(31(3)29-15)25(35)21-7-5-6-17-12-18(8-9-20(17)24(21)34)33-14-19(38-27(33)37)13-28-26(36)23-11-16(2)30-32(23)4/h8-12,19,21H,5-7,13-14H2,1-4H3,(H,28,36)
• InChIKey: JLTINXIJUQZRHY-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 128.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?

The IUPAC name of N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 72637012) is N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?

The canonical SMILES for N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CN(c3ccc4c(c3)CCCC(C(=O)c3cc(C)nn3C)C4=O)C(=O)O2)n(C)n1.

What is the InChIKey of N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?

The InChIKey is JLTINXIJUQZRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O5/c1-15-10-22(31(3)29-15)25(35)21-7-5-6-17-12-18(8-9-20(17)24(21)34)33-14-19(38-27(33)37)13-28-26(36)23-11-16(2)30-32(23)4/h8-12,19,21H,5-7,13-14H2,1-4H3,(H,28,36).

What are the key properties of N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide?

N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[6-(2,5-dimethylpyrazole-3-carbonyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 72637012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).