chempirical

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate

C8H12N2O2CAS 85290-76-2168.20 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C8H12N2O2
Molar mass
168.20 g/mol
Exact mass
168.0899 Da
logP
0.91Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
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
85290-76-2
SMILES
CCOC(=O)C1=CN(N=C1C)C
InChIKey
UEOAHNKIDQAFPD-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-10(3)9-6(7)2/h5H,4H2,1-3H3

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Work with Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate

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

1-Methyl-3-(difluoromethyl)pyrazole-4-carboxylic acid ethyl ester141573-95-764 % similar 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester111493-74-463 % similar 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-453 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-452 % similar Ethyl 1-methyl-1H-pyrazole-4-carboxylate85290-80-852 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-251 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-049 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-048 % similar

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

Same formula

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-0 N,N'-Ethylenebisacrylamide2956-58-3 2,5-Pyrazinediethanol4744-51-8 1-(tert-Butoxycarbonyl)imidazole49761-82-2 1,3-Dimethyl-5-ethoxycarbonylpyrazole5744-40-1 Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-4 1,3-Diazaspiro[4.5]decane-2,4-dione702-62-5 2,4-Diaminophenoxyethanol70643-19-5

Elsewhere

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