5-Formamide-1-(2-formyloxyethl)pyrazole

C₇H₉N₃O₃CAS 116856-18-9183.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉N₃O₃
Molar mass: 183.17 g/mol
Exact mass: 183.0644 Da
logP: -0.38Crippen estimate
Polar surface area: 73.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 6

Identifiers

CAS number

116856-18-9

SMILES

C1=C(N(N=C1)CCOC=O)NC=O

InChIKey

ADNBFDFIEWMUBJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9N3O3/c11-5-8-7-1-2-9-10(7)3-4-13-6-12/h1-2,5-6H,3-4H2,(H,8,11)

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Names and synonyms

1 names

2-(5-Formamido-1H-pyrazol-1-yl)ethyl formate

Work with 5-Formamide-1-(2-formyloxyethl)pyrazole

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

2-Phenylethyl formate104-62-133 % similar Glycol diformate629-15-231 % similar Benzyl formate104-57-431 % similar

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

Same formula

Ethyl 2-amino-1,4-dihydro-4-oxo-5-pyrimidinecarboxylate15400-53-0 6-Methoxy-N-methyl-3-nitro-2-pyridinamine94166-58-2

Elsewhere

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