4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide

C18H21N3O3 — CID 18106384

IUPAC4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C18H21N3O3/c1-9-6-7-14(10(2)8-9)17(23)20-21-18(24)16-11(3)15(13(5)22)12(4)19-16/h6-8,19H,1-5H3,(H,20,23)(H,21,24)
InChIKeyPLEHUDYSKGAMKN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.53
Rot. Bonds3

About 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide

4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide (PubChem CID 18106384) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
PubChem CID18106384
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C18H21N3O3/c1-9-6-7-14(10(2)8-9)17(23)20-21-18(24)16-11(3)15(13(5)22)12(4)19-16/h6-8,19H,1-5H3,(H,20,23)(H,21,24)
InChIKeyPLEHUDYSKGAMKN-UHFFFAOYSA-N
XLogP2.53
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.53
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-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9084845
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
4-acetyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40953604
ethyl 2,4-dimethyl-5-[[(2-methylbenzoyl)amino]carbamoyl]-1H-pyrrole-3-carboxylate
CID 959524
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
N-[2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156981
4-acetyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 31721136
4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 60575158
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814141
4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 55350767
4-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 38993918
N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide (CID 18106384) is 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide is CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)cc2C)c1C.
What is the InChIKey of 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is PLEHUDYSKGAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-9-6-7-14(10(2)8-9)17(23)20-21-18(24)16-11(3)15(13(5)22)12(4)19-16/h6-8,19H,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 327.38 g/mol, XLogP of 2.53, 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)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 18106384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).