3,5-(Diethoxycarbonyl)-1H-pyrazole

C9H12N2O4CAS 37687-24-4212.20 g/mol

Open in Covalent MOL file
OOOONHN
Ester

Properties

Molecular formula
C9H12N2O4
Molar mass
212.20 g/mol
Exact mass
212.0797 Da
Melting point
54–55 °C
logP
0.76Crippen estimate
Polar surface area
81.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
37687-24-4
SMILES
CCOC(=O)c1cc(C(=O)OCC)[nH]n1
InChIKey
MBWXLICVQZUJOW-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Pyrazole-3,5-dicarboxylic acid, 3,5-diethyl ester
  • 1H-Pyrazole-3,5-dicarboxylic acid, diethyl ester
  • Diethyl pyrazole-3,5-dicarboxylate
  • 3,5-Pyrazoledicarboxylic acid diethyl ester
  • NSC 97126
  • Diethyl 1H-pyrazole-3,5-dicarboxylate
  • 3,5-Diethyl 1H-pyrazole-3,5-dicarboxylate

Work with 3,5-(Diethoxycarbonyl)-1H-pyrazole

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

5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-069 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-068 % similar 5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester78208-72-766 % similar Ethyl 3-propyl-1H-pyrazole-5-carboxylate92945-27-264 % similar Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-358 % similar Ethyl 1H-pyrazole-3-carboxylate5932-27-455 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-351 % similar Ethyl imidazole-4-carboxylate23785-21-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-1-(4-nitrophenyl)-1,3-propanediol119-62-0 4-Hydroxy-3,5-dimethoxybenzoic acid hydrazide1443-76-1 (1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol2964-48-9 2',3'-Dideoxyuridine5983-09-5 Chloramphenicol base716-61-0 4-Hydroxypropylamino-3-nitrophenol92952-81-3

Elsewhere

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