Ethyl 5-Propylpyrazole-3-carboxylate - CAS 92945-27-2
Catalog: |
BB040724 |
Product Name: |
Ethyl 5-Propylpyrazole-3-carboxylate |
CAS: |
92945-27-2 |
Synonyms: |
5-propyl-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-propyl-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 5-propyl-1H-pyrazole-3-carboxylate |
Description: | Ethyl 5-Propylpyrazole-3-carboxylate (CAS# 92945-27-2) is an intermediate in the synthesis of pyrazoles and diazoacetates which act as antioxidants inhibitors with varying levels pharmaceutical activity. |
Molecular Weight: | 182.22 |
Molecular Formula: | C9H14N2O2 |
Canonical SMILES: | CCCC1=CC(=NN1)C(=O)OCC |
InChI: | InChI=1S/C9H14N2O2/c1-3-5-7-6-8(11-10-7)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11) |
InChI Key: | SUALHSUMUQQLJP-UHFFFAOYSA-N |
Boiling Point: | 331.1 ℃ at 760 mmHg |
Density: | 1.106 g/cm3 |
Appearance: | White flakes |
MDL: | MFCD02093950 |
LogP: | 1.53890 |
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-111005033-A | Electro-reduction preparation method of sildenafil intermediate | 20191216 |
CN-111005033-B | Electro-reduction preparation method of sildenafil intermediate | 20191216 |
EP-3180315-A1 | Pyrazoles | 20140815 |
EP-3180315-B1 | Pyrazoles | 20140815 |
JP-2017525700-A | Pyrazoles | 20140815 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.105527694 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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