chempirical

1-Methyl-5-nitroindazole

C8H7N3O2CAS 5228-49-9177.16 g/mol

Open in Covalent MOL file
NNN+OO−
Nitro

Properties

Molecular formula
C8H7N3O2
Molar mass
177.16 g/mol
Exact mass
177.0538 Da
Melting point
109 °C
logP
1.48Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
5228-49-9
SMILES
Cn1ncc2cc([N+](=O)[O-])ccc21
InChIKey
JHPMRMBDPINHAV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O2/c1-10-8-3-2-7(11(12)13)4-6(8)5-9-10/h2-5H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indazole, 1-methyl-5-nitro-
  • 1-Methyl-5-nitro-1H-indazole
  • 5-Nitro-1-methylindazole
  • NSC 131656
  • 1-Methyl-5-nitro-1H-benzopyrazole

Work with 1-Methyl-5-nitroindazole

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

2,3-Dimethyl-6-nitro-2H-indazole444731-73-148 % similar 2-Nitronaphthalene581-89-546 % similar 2-Methyl-6-nitroquinoline613-30-944 % similar 1-Methyl-4-nitro-1H-pyrazole3994-50-144 % similar 6-Nitroquinoline613-50-343 % similar 4-Nitro-O-xylene99-51-443 % similar 2-Methyl-5-nitroindole7570-47-042 % similar 5-Nitroindole6146-52-742 % similar

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

Same formula

Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-2 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-1 Luminol521-31-3 3-Methyl-6-nitro-1H-indazole6494-19-5 2-Methylpyrazolo[1,5-A]pyrimidine-6-carboxylic acid739364-95-5

Elsewhere

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