Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate

C₉H₈ClN₃O₂CAS 1224944-77-7225.63 g/mol

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Aryl halide Ester

Properties

Molecular formula: C₉H₈ClN₃O₂
Molar mass: 225.63 g/mol
Exact mass: 225.0305 Da
logP: 1.56Crippen estimate
Polar surface area: 56.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

1224944-77-7

SMILES

CCOC(=O)C1=C2N=C(C=CN2N=C1)Cl

InChIKey

UOZKVCQDLXBWBG-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3

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Names and synonyms

1 names

Ethyl 5-chloropyrazolo[1,5-A]pyrimidine-3-carboxylate

Work with Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-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

Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester115932-00-860 % similar Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate885276-93-758 % similar Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-056 % similar Ethyl 6-chloropicolinate21190-89-656 % similar Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-649 % similar Ethyl 6-chloronicotinate49608-01-748 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-847 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate1150566-27-0 Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate144927-57-1 4-Chloro-1,3-dimethylpyrazolo[3,4-B]pyridine-5-carboxylic acid175201-94-2 Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-4 Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate64067-99-8

Elsewhere

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