Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate

C₈H₁₂N₂O₂CAS 5744-51-4168.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂N₂O₂
Molar mass: 168.20 g/mol
Exact mass: 168.0899 Da
logP: 0.91Crippen estimate
Polar surface area: 44.1 Å²
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

5744-51-4

SMILES

CCOC(=O)C1=NN(C(=C1)C)C

InChIKey

OJPXVXXMBWKEAT-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1,5-Dimethyl-3-ethoxycarbonylpyrazole

Work with Ethyl 1,5-dimethyl-1H-pyrazole-3-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

1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-253 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-149 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-049 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-449 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-348 % similar Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate85290-76-247 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-447 % similar Ethyl 2-methylthiazole-4-carboxylate6436-59-547 % 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 1,3-Diazaspiro[4.5]decane-2,4-dione702-62-5 2,4-Diaminophenoxyethanol70643-19-5 Hexamethylene diisocyanate822-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook