chempirical

1H-Indazole-5-carbonitrile

C8H5N3CAS 74626-47-4143.15 g/mol

Open in Covalent MOL file
NNNH
Nitrile

Properties

Molecular formula
C8H5N3
Molar mass
143.15 g/mol
Exact mass
143.0483 Da
logP
1.43Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

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
74626-47-4
SMILES
C1=CC2=C(C=C1C#N)C=NN2
InChIKey
YGBYVNQFNMXDJM-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,(H,10,11)

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Work with 1H-Indazole-5-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-Indazol-5-ol15579-15-455 % similar Indole-5-carbonitrile15861-24-253 % similar 5-Methyl-1H-indazole1776-37-050 % similar 1H-Indazol-5-amine19335-11-650 % similar 5-Fluoro-1H-indazole348-26-550 % similar (1H-Indazol-5-yl)methanol478828-52-350 % similar 5-Bromo-1H-indazole53857-57-150 % similar 5-Iodo-1H-indazole55919-82-950 % similar

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

Same formula

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile146767-63-7 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-5 1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-3 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile4414-89-5 1H-Indazole-3-carbonitrile50264-88-5 1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile517918-95-5 4-Amino-1,2-benzenedicarbonitrile56765-79-8 1H-Indazole-4-carbonitrile861340-10-5

Elsewhere

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