5-Methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine

C₁₀H₁₀N₄O₂CAS 16459-47-5218.22 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₁₀H₁₀N₄O₂
Molar mass: 218.22 g/mol
Exact mass: 218.0804 Da
logP: 1.67Crippen estimate
Polar surface area: 87.0 Å²
H-bond donors / acceptors: 1 / 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

16459-47-5

SMILES

CC1=NN(C(=C1)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChIKey

TVXCGEBTCKIPNH-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3

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Names and synonyms

1 names

3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine

Work with 5-Methyl-2-(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

5-Amino-3-methyl-1-phenylpyrazole1131-18-657 % similar 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-447 % similar 1-(4-Nitrophenyl)-3,4-dimethylpyrano[2,3-C]pyrazole-6(1H)-one74169-56-545 % similar 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile5394-41-244 % similar 2-Methyl-5-nitropyridine21203-68-944 % similar 2-Methyl-4-nitropyridine13508-96-843 % similar 4-Nitroaniline100-01-643 % similar 4-Nitrotoluene99-99-043 % similar

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

Elsewhere

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