Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

C7H11N3O2CAS 31037-02-2169.18 g/mol

Open in Covalent MOL file
OONNH2N
EsterPrimary amine

Properties

Molecular formula
C7H11N3O2
Molar mass
169.18 g/mol
Exact mass
169.0851 Da
logP
0.18Crippen estimate
Polar surface area
70.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
31037-02-2
SMILES
CCOC(=O)C1=C(N(N=C1)C)N
InChIKey
MEUSJJFWVKBUFP-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 5-amino-1-methylpyrazole-4-carboxylate

Work with Ethyl 5-amino-1-methyl-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 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-062 % similar Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate138907-68-358 % similar Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid ethyl ester115932-00-849 % similar Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-049 % similar Ethyl 3-aminoisonicotinate14208-83-449 % similar Ethyl 5-methylisoxazole-4-carboxylate51135-73-048 % similar Ethyl 1-methyl-1H-pyrazole-4-carboxylate85290-80-848 % similar Ethyl 2-aminobenzoate87-25-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Dimethoxymethyl)pyrimidin-2-amine165807-05-6 2-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester177760-04-2 1-Methyl-L-histidine332-80-9 3-Methylhistidine368-16-1 1,1-Dimethylethyl 1H-1,2,4-triazole-1-carboxylate41864-24-8 5-Amino-3-methyl-3H-imidazole-4-carboxylic acid ethyl ester61982-18-1

Elsewhere

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