Ethyl 3,5-diamino-1H-pyrazole-4-carboxylate

C₆H₁₀N₄O₂CAS 6825-71-4170.17 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₁₀N₄O₂
Molar mass: 170.17 g/mol
Exact mass: 170.0804 Da
logP: -0.25Crippen estimate
Polar surface area: 107.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6825-71-4

SMILES

CCOC(=O)C1=C(NN=C1N)N

InChIKey

HRAWNPOJGRIJSB-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N4O2/c1-2-12-6(11)3-4(7)9-10-5(3)8/h2H2,1H3,(H5,7,8,9,10)

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Work with Ethyl 3,5-diamino-1H-pyrazole-4-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

Ethyl 4-amino-1H-imidazole-5-carboxylate21190-16-952 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-049 % similar Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-447 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-044 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-444 % similar Ethyl 2,3,4,5,6-pentafluorobenzoate4522-93-444 % similar 5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester61982-18-143 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-043 % similar

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

Same formula

2-tert-Butyl-2H-1,2,3,4-tetrazole-5-carboxylic acid1547646-28-5 5,6-Diamino-1,3-dimethyluracil5440-00-6

Elsewhere

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