4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide

C16H17N3O3 — CID 9084845

IUPAC4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C16H17N3O3/c1-9-4-5-13(10(2)6-9)15(21)18-19-16(22)14-7-12(8-17-14)11(3)20/h4-8,17H,1-3H3,(H,18,21)(H,19,22)
InChIKeyCUKHVWGUKHSALC-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.91
Rot. Bonds3

About 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide

4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 9084845) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID9084845
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C16H17N3O3/c1-9-4-5-13(10(2)6-9)15(21)18-19-16(22)14-7-12(8-17-14)11(3)20/h4-8,17H,1-3H3,(H,18,21)(H,19,22)
InChIKeyCUKHVWGUKHSALC-UHFFFAOYSA-N
XLogP1.91
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34280698
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
4-acetyl-N-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 171483228
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18106384
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088554
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide (CID 9084845) is 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide is CC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is CUKHVWGUKHSALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-4-5-13(10(2)6-9)15(21)18-19-16(22)14-7-12(8-17-14)11(3)20/h4-8,17H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9084845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).