chempirical

Ethyl 5-amino-1H-pyrazole-3-carboxylate

C6H9N3O2CAS 105434-90-0155.16 g/mol

Open in Covalent MOL file
OONHNNH2
EsterPrimary amine

Properties

Molecular formula
C6H9N3O2
Molar mass
155.16 g/mol
Exact mass
155.0695 Da
logP
0.17Crippen estimate
Polar surface area
81.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
105434-90-0
SMILES
CCOC(=O)C1=CC(=NN1)N
InChIKey
CPQKGGOPHDHAMN-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H3,7,8,9)

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Work with Ethyl 5-amino-1H-pyrazole-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

3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-468 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-050 % similar 5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-850 % similar 5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester78208-72-748 % similar Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-648 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-345 % similar Ethyl 4-formyl-1H-pyrrole-2-carboxylate7126-57-044 % similar Ethyl 2-amino-4-thiazolecarboxylate5398-36-744 % similar

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

Same formula

Cupferron135-20-6 2-Amino-4,6-dimethoxypyrimidine256642-28-1 2,6-Dimethoxy-4-pyrimidinamine3289-50-7 D-Histidine351-50-8 2-Amino-4,6-dimethoxypyrimidine36315-01-2 Dl-histidine4998-57-6 4-Amino-5,6-dimethoxypyrimidine5018-45-1 6-Amino-1,3-dimethyluracil6642-31-5

Elsewhere

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