chempirical

Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester

C9H9N3O2CAS 115932-00-8191.19 g/mol

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OONNN
Ester

Properties

Molecular formula
C9H9N3O2
Molar mass
191.19 g/mol
Exact mass
191.0695 Da
logP
0.91Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
115932-00-8
SMILES
CCOC(=O)C1=C2N=CC=CN2N=C1
InChIKey
JEMAMNBFHPIPCR-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate

Work with Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester

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 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-760 % similar Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate885276-93-752 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-251 % similar Ethyl 2-pyridinecarboxylate2524-52-948 % similar Diethyl phthalate84-66-248 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-047 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-146 % similar Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate112055-34-244 % similar

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

Same formula

Carbendazim10605-21-7 2,3-Dimethyl-6-nitro-2H-indazole444731-73-1 1H-Benzotriazole-1-propanoic acid654-15-9

Elsewhere

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