2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole

C₁₂H₁₂N₂O₂CAS 5044-22-4216.24 g/mol

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Properties

Molecular formula: C₁₂H₁₂N₂O₂
Molar mass: 216.24 g/mol
Exact mass: 216.0899 Da
Melting point: 145 °C
logP: 3.00Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

5044-22-4

SMILES

Cc1ccc(C)n1-c1ccc([N+](=O)[O-])cc1

InChIKey

JXJRCFOGAIXRCU-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O2/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)14(15)16/h3-8H,1-2H3

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Names and synonyms

4 names

1H-Pyrrole, 2,5-dimethyl-1-(4-nitrophenyl)-
Pyrrole, 2,5-dimethyl-1-(p-nitrophenyl)-
2,5-Dimethyl-1-(4-nitrophenyl)pyrrole
N-(p-Nitrophenyl)-2,5-dimethylpyrrole

Work with 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dinitrobenzene100-25-456 % similar 4-Nitrotoluene99-99-055 % similar N,N-Dimethyl-4-nitroaniline100-23-250 % similar Bis(4-nitrophenyl) disulfide100-32-350 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-150 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-150 % similar 1-(4-Nitrophenyl)-1H-imidazole2301-25-946 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4'-Bis(hydroxymethyl)-2,2'-bipyridine109073-77-0 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-0 2,2′-(1,3-Phenylene)bis(2-oxazoline)34052-90-9 Lycoperodine-142438-90-4 1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid6052-68-2 4-Formylantipyrine950-81-2

Elsewhere

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