3,5-Dimethyl-4-nitropyrazole

C₅H₇N₃O₂CAS 14531-55-6141.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇N₃O₂
Molar mass: 141.13 g/mol
Exact mass: 141.0538 Da
Melting point: 123–124 °C
logP: 0.93Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

14531-55-6

SMILES

Cc1n[nH]c(C)c1[N+](=O)[O-]

InChIKey

OFQCJVVJRNPSET-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N3O2/c1-3-5(8(9)10)4(2)7-6-3/h1-2H3,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Pyrazole, 3,5-dimethyl-4-nitro-
Pyrazole, 3,5-dimethyl-4-nitro-
3,5-Dimethyl-4-nitro-1H-pyrazole
4-Nitro-3,5-dimethylpyrazole

Work with 3,5-Dimethyl-4-nitropyrazole

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

3,5-Dimethyl-4-nitroisoxazole1123-49-544 % similar 3-Methyl-4-nitro-1H-pyrazole5334-39-444 % similar 3-Methyl-6-nitro-1H-indazole6494-19-544 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-443 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-041 % similar 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-641 % similar 5-Methyl-4-nitroimidazole14003-66-841 % similar 4-Iodo-3,5-dimethyl-1H-pyrazole2033-45-639 % similar

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

Same formula

6-Amino-1-methyluracil2434-53-9 Dimetridazole551-92-8 2-Amino-5-methyl-4,6(1H,5H)-pyrimidinedione55477-35-5

Elsewhere

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