4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide

C18H25BrN4O3 — CID 55738672

IUPAC4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C18H25BrN4O3/c1-22-11-13(19)10-15(22)17(25)21-20-16(24)14-8-5-9-23(14)18(26)12-6-3-2-4-7-12/h10-12,14H,2-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyJCOSTCLWWRGCHI-UHFFFAOYSA-N
MW425.33 g/mol
LogP2.12
Rot. Bonds3

About 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 55738672) has the molecular formula C18H25BrN4O3 and a molecular weight of 425.33 g/mol. Its IUPAC name is 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID55738672
Molecular FormulaC18H25BrN4O3
Molecular Weight425.33 g/mol
Exact Mass424.11
IUPAC Name4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C18H25BrN4O3/c1-22-11-13(19)10-15(22)17(25)21-20-16(24)14-8-5-9-23(14)18(26)12-6-3-2-4-7-12/h10-12,14H,2-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyJCOSTCLWWRGCHI-UHFFFAOYSA-N
XLogP2.12
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 52.12
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'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-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

N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
CID 32814392
N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
CID 42573577
N'-(adamantane-2-carbonyl)-4-bromo-1-methylpyrrole-2-carbohydrazide
CID 51313858
(4-bromo-1-methylpyrrol-2-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 61244728
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 18228534
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 79036256
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide
CID 55786692
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carbohydrazide
CID 55738775
(4-bromo-1-methylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81485094
4-bromo-1-methyl-N-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 99837354

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide (CID 55738672) is 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is JCOSTCLWWRGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O3/c1-22-11-13(19)10-15(22)17(25)21-20-16(24)14-8-5-9-23(14)18(26)12-6-3-2-4-7-12/h10-12,14H,2-9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 425.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 55738672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).