chempirical

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

C9H8ClN3O2CAS 1224944-77-7225.63 g/mol

Open in Covalent MOL file
OONNNCl
Aryl halideEster

Properties

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

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 6-chloronicotinate49608-01-748 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-847 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-146 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-445 % similar Ethyl o-chlorobenzoate7335-25-345 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-344 % 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 Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate64067-99-8

Elsewhere

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