5-(4-Nitrophenyl)-2H-pyrazol-3-ylamine

C₉H₈N₄O₂CAS 78583-83-2204.19 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₉H₈N₄O₂
Molar mass: 204.19 g/mol
Exact mass: 204.0647 Da
logP: 1.57Crippen estimate
Polar surface area: 97.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78583-83-2

SMILES

C1=CC(=CC=C1C2=CC(=NN2)N)[N+](=O)[O-]

InChIKey

UTUMMZUJYKIHOB-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N4O2/c10-9-5-8(11-12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12)

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Names and synonyms

1 names

3-(4-Nitrophenyl)-1H-pyrazol-5-amine

Work with 5-(4-Nitrophenyl)-2H-pyrazol-3-ylamine

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

3-(4-Nitrophenyl)-1H-pyrazole20583-31-755 % similar 3-Amino-5-phenylpyrazole827-41-854 % similar 3-(4-Chlorophenyl)-1H-pyrazol-5-amine78583-81-054 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-150 % similar 5-Amino-3-(4-methoxyphenyl)pyrazole19541-95-850 % similar 3-Amino-5-nitroindazole41339-17-747 % similar 1,3-Dihydro-4-(4-nitrophenyl)-2H-imidazole-2-thione6857-35-847 % similar 5-(4-Nitro-phenyl)-2H-tetrazole16687-60-847 % similar

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

Same formula

1-(4-Nitrobenzyl)-1H-1,2,4-triazole119192-09-5

Elsewhere

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