chempirical

1-(4-Nitrophenyl)-3,4-dimethylpyrano[2,3-C]pyrazole-6(1H)-one

C14H11N3O4CAS 74169-56-5285.26 g/mol

Open in Covalent MOL file
OONNN+OO−
Nitro

Properties

Molecular formula
C14H11N3O4
Molar mass
285.26 g/mol
Exact mass
285.0750 Da
logP
2.50Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

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
74169-56-5
SMILES
CC1=CC(=O)OC2=C1C(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C
InChIKey
XHPVUPLVVARPMC-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N3O4/c1-8-7-12(18)21-14-13(8)9(2)15-16(14)10-3-5-11(6-4-10)17(19)20/h3-7H,1-2H3

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Names and synonyms

1 names
  • 3,4-Dimethyl-1-(4-nitrophenyl)pyrano[2,3-c]pyrazol-6(1H)-one

Work with 1-(4-Nitrophenyl)-3,4-dimethylpyrano[2,3-C]pyrazole-6(1H)-one

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

5-Methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine16459-47-545 % similar 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-438 % similar 4-Nitro-o-xylene99-51-438 % similar 2,3-Dimethyl-5-nitropyridine89244-47-338 % similar 2,4-Dinitrotoluene121-14-237 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-536 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-836 % similar 2-Methyl-4-nitrophenol99-53-636 % similar

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

Elsewhere

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