chempirical

1H-Indazole-4-carbonitrile

C8H5N3CAS 861340-10-5143.15 g/mol

Open in Covalent MOL file
NNHN
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
861340-10-5
SMILES
C1=CC(=C2C=NNC2=C1)C#N
InChIKey
SBVHLMVTWNMOPU-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5H,(H,10,11)

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Work with 1H-Indazole-4-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

4-Fluoro-1H-indazole-5-carbonitrile473416-81-863 % similar 4-Cyanoindole16136-52-053 % similar 4-Chloro (1H)indazole13096-96-352 % similar 4-Bromo (1H)indazole186407-74-952 % similar 4-Fluoroindazole341-23-150 % similar 1H-Indazol-4-amine41748-71-450 % similar 1H-Indazol-4-ol81382-45-850 % similar 1-Naphthalenecarbonitrile86-53-347 % 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-5-carbonitrile74626-47-4

Elsewhere

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