Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

C13H10ClF3N2O2CAS 112055-36-4318.68 g/mol

Open in Covalent MOL file
OONNClFFF
Alkyl halideAryl halideEster

Properties

Molecular formula
C13H10ClF3N2O2
Molar mass
318.68 g/mol
Exact mass
318.0383 Da
Melting point
51–53 °C
logP
3.72Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
112055-36-4
SMILES
CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIKey
AXOBLWLBBFCXOG-UHFFFAOYSA-N
InChI
InChI=1S/C13H10ClF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3

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Names and synonyms

2 names
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(trifluoromethyl)-, ethyl ester
  • 1-(4-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester

Work with Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

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Similar compounds

1-(4-Fluorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester175137-38-978 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-278 % similar Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate175137-35-670 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride175137-19-663 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid98534-80-662 % similar 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide175137-34-558 % similar Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate138907-68-353 % similar Ethyl 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate175276-59-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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