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

C7H10N2O2CAS 85290-80-8154.17 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
logP
0.60Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
85290-80-8
SMILES
CCOC(=O)C1=CN(N=C1)C
InChIKey
GXKQVOXCQOQZED-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9(2)5-6/h4-5H,3H2,1-2H3

Weigh it out

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Work with Ethyl 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

Triethyl 1,3,5-benzenetricarboxylate4105-92-453 % similar Diethyl terephthalate636-09-953 % similar Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate85290-76-252 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-451 % similar Ethyl isonicotinate1570-45-250 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-550 % similar Ethyl 1H-pyrazole-4-carboxylate37622-90-550 % similar 1-Methyl-1H-pyrazole-4-carboxylic acid5952-92-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 Ethyl 2-(1H-imidazol-1-yl)acetate17450-34-9 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-9

Elsewhere

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