4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide

C12H12BrN3O2S — CID 27021573

IUPAC4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)Cc1cccs1
InChIInChI=1S/C12H12BrN3O2S/c1-16-7-8(13)5-10(16)12(18)15-14-11(17)6-9-3-2-4-19-9/h2-5,7H,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyIRMRGOAQBWKQEG-UHFFFAOYSA-N
MW342.22 g/mol
LogP1.85
Rot. Bonds3

About 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide

4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide (PubChem CID 27021573) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
PubChem CID27021573
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)Cc1cccs1
InChIInChI=1S/C12H12BrN3O2S/c1-16-7-8(13)5-10(16)12(18)15-14-11(17)6-9-3-2-4-19-9/h2-5,7H,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyIRMRGOAQBWKQEG-UHFFFAOYSA-N
XLogP1.85
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24532949
4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
4-bromo-1-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61394689
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4-bromo-1-methyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrrole-2-carbohydrazide
CID 24533026
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 18228534
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037306

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide (CID 27021573) is 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)Cc1cccs1.
What is the InChIKey of 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide?
The InChIKey is IRMRGOAQBWKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-16-7-8(13)5-10(16)12(18)15-14-11(17)6-9-3-2-4-19-9/h2-5,7H,6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide?
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide has a molecular weight of 342.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 27021573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).