4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide

C15H17BrN4O2 — CID 24552605

IUPAC4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2cc(Br)cn2C)c1
InChIInChI=1S/C15H17BrN4O2/c1-19(2)12-6-4-5-10(7-12)14(21)17-18-15(22)13-8-11(16)9-20(13)3/h4-9H,1-3H3,(H,17,21)(H,18,22)
InChIKeyDQBPXZARAXGSAU-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.93
Rot. Bonds3

About 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 24552605) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID24552605
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2cc(Br)cn2C)c1
InChIInChI=1S/C15H17BrN4O2/c1-19(2)12-6-4-5-10(7-12)14(21)17-18-15(22)13-8-11(16)9-20(13)3/h4-9H,1-3H3,(H,17,21)(H,18,22)
InChIKeyDQBPXZARAXGSAU-UHFFFAOYSA-N
XLogP1.93
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
CID 18120355
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
4-bromo-N-[3-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60698428
4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24532975
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
N'-[3-(dimethylamino)benzoyl]-5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 37348998
4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 36626321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide (CID 24552605) is 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2cc(Br)cn2C)c1.
What is the InChIKey of 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is DQBPXZARAXGSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-19(2)12-6-4-5-10(7-12)14(21)17-18-15(22)13-8-11(16)9-20(13)3/h4-9H,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 365.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 24552605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).