chempirical

1,3-Dimethyl-5-ethoxycarbonylpyrazole

C8H12N2O2CAS 5744-40-1168.20 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
5744-40-1
SMILES
CCOC(=O)C1=CC(=NN1C)C
InChIKey
ZYSGPOXVDOROJU-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)9-10(7)3/h5H,4H2,1-3H3

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Names and synonyms

1 names
  • Ethyl 1,3-dimethylpyrazole-5-carboxylate

Work with 1,3-Dimethyl-5-ethoxycarbonylpyrazole

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

1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-853 % similar 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-853 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-953 % similar 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester177760-04-247 % similar Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate85290-76-247 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-446 % similar Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-246 % similar Ethyl 6-methylnicotinate21684-59-345 % 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 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 Hexamethylene diisocyanate822-06-0

Elsewhere

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