5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

C16H12N4OCAS 330792-70-6276.30 g/mol

Open in Covalent MOL file
ONHNNH2N
EtherNitrilePrimary amine

Properties

Molecular formula
C16H12N4O
Molar mass
276.30 g/mol
Exact mass
276.1011 Da
logP
3.32Crippen estimate
Polar surface area
87.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 4 ECHA notifiers. Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
330792-70-6
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=NN3)N)C#N
InChIKey
HNIMEQCLCNSCGH-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)

Weigh it out

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Names and synonyms

1 names
  • 3-Amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

Work with 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-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-Bromo-3-phenyl-1H-pyrazol-5-amine2845-78-543 % similar 4-Phenoxybenzonitrile3096-81-943 % similar (4-Aminophenoxy)benzene139-59-338 % similar 1,4-Diphenoxybenzene3061-36-736 % similar 2-Fluoro-6-phenoxybenzonitrile175204-06-535 % similar Biphenyl-diphenyl ether mixture8004-13-534 % similar 5-Amino-3-methyl-4-phenylpyrazole60419-81-034 % similar Diphenyl ether101-84-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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