Diethyl 3,5-pyrazoledicarboxylate - CAS 37687-24-4
Catalog: |
BB023389 |
Product Name: |
Diethyl 3,5-pyrazoledicarboxylate |
CAS: |
37687-24-4 |
Synonyms: |
diethyl 1H-pyrazole-3,5-dicarboxylate |
IUPAC Name: | diethyl 1H-pyrazole-3,5-dicarboxylate |
Description: | Diethyl 3,5-pyrazoledicarboxylate (CAS# 37687-24-4) is a useful research chemical. |
Molecular Weight: | 212.20 |
Molecular Formula: | C9H12N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC(=NN1)C(=O)OCC |
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) |
InChI Key: | MBWXLICVQZUJOW-UHFFFAOYSA-N |
Boiling Point: | 362.5 ℃ at 760 mmHg |
Density: | 1.249 g/cm3 |
Appearance: | Slightly yellow crystalline powder |
MDL: | MFCD00152167 |
LogP: | 0.76310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 20200323 |
WO-2021185256-A1 | Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof | 20200316 |
WO-2020260871-A1 | New compounds and methods | 20190624 |
WO-2020243153-A1 | Fused heterocyclic derivatives | 20190528 |
WO-2020185606-A1 | Macrocyclic compounds | 20190308 |
PMID | Publication Date | Title | Journal |
17177368 | 20061227 | The sodium salt of diethyl 1H-pyrazole-3,5-dicarboxylate as an efficient amphiphilic receptor for dopamine and amphetamines. crystal structure and solution studies | Journal of the American Chemical Society |
16991111 | 20061201 | The structure of ammonium pyrazolates in the solid state | Magnetic resonance in chemistry : MRC |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.07970687 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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