Ethyl 3-difluoromethyl-1-methyl-4-pyrazole carboxylate

C₈H₁₀F₂N₂O₂CAS 141573-95-7204.18 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₈H₁₀F₂N₂O₂
Molar mass: 204.18 g/mol
Exact mass: 204.0710 Da
Melting point: 58–59 °C
logP: 1.53Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

141573-95-7

SMILES

CCOC(=O)c1cn(C)nc1C(F)F

InChIKey

MRQQMVMIANXDKC-UHFFFAOYSA-N

InChI

InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-12(2)11-6(5)7(9)10/h4,7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-, ethyl ester
1-Methyl-3-(difluoromethyl)pyrazole-4-carboxylic acid ethyl ester
3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid ethyl ester
Ethyl 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylate
Ethyl 1-methyl-3-difluoromethyl-1H-pyrazole-4-carboxylate
Ethyl 1-methyl-3-(difluoromethyl)pyrazole-4-carboxylate
Ethyl 3-(difluoromethyl)-1-methyl-7H-pyrazole-4-carboxylate

Work with Ethyl 3-difluoromethyl-1-methyl-4-pyrazole 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

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate85290-76-264 % similar 1-Methyl-3-trifluoromethylpyrazole-4-carboxylic acid ethyl ester111493-74-462 % similar 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid176969-34-956 % similar Ethyl 1-methyl-1H-pyrazole-4-carboxylate85290-80-849 % similar Diethyl phthalate84-66-244 % similar Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate31037-02-243 % similar Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate155377-19-842 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-242 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook