Ethyl 1H-pyrazole-4-carboxylate

C6H8N2O2CAS 37622-90-5140.14 g/mol

Open in Covalent MOL file
OONNH
Ester

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
Melting point
76–78 °C
Boiling point
138–140 °C (at 3 Torr)
logP
0.59Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 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
37622-90-5
SMILES
CCOC(=O)c1cn[nH]c1
InChIKey
KACZQOKEFKFNDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)

Weigh it out

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Names and synonyms

6 names
  • 1H-Pyrazole-4-carboxylic acid, ethyl ester
  • Pyrazole-4-carboxylic acid, ethyl ester
  • Ethyl 4-pyrazolecarboxylate
  • 4-Ethoxycarbonyl-1H-pyrazole
  • 1H-Pyrazol-4-carboxylic acid ethyl ester
  • 4-Ethoxycarbonylpyrazole

Work with Ethyl 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

Methyl 1H-pyrazole-4-carboxylate51105-90-962 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-456 % similar Diethyl terephthalate636-09-956 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-454 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-454 % similar Ethyl isonicotinate1570-45-253 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-553 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 4,6-Diaminoresorcinol15791-87-4 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1

Elsewhere

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