4-Methyl-1H-indazole-3-carbonitrile

C₉H₇N₃CAS 29984-94-9157.18 g/mol

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Properties

Molecular formula: C₉H₇N₃
Molar mass: 157.18 g/mol
Exact mass: 157.0640 Da
logP: 1.74Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

29984-94-9

SMILES

Cc1cccc2[nH]nc(C#N)c12

InChIKey

NBUFGCMGHQUNPN-UHFFFAOYSA-N

InChI

InChI=1S/C9H7N3/c1-6-3-2-4-7-9(6)8(5-10)12-11-7/h2-4H,1H3,(H,11,12)

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Names and synonyms

1 names

1H-Indazole-3-carbonitrile, 4-methyl-

Work with 4-Methyl-1H-indazole-3-carbonitrile

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

1H-Indazole-3-carbonitrile50264-88-556 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-646 % similar 2,6-Dimethylbenzonitrile6575-13-944 % similar 6-Bromo-1H-indazole-3-carbonitrile885278-24-040 % similar 2,3-Dimethylbenzonitrile5724-56-139 % similar 2-Chloro-6-methylbenzonitrile6575-09-338 % similar 1,8-Dimethylnaphthalene569-41-535 % similar 4-Methylindole16096-32-533 % similar

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

Same formula

1H-Benzimidazole-2-acetonitrile4414-88-4

Elsewhere

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