Ethyl 1-Benzylpyrazole-3-carboxylate - CAS 174907-58-5
Catalog: |
BB013058 |
Product Name: |
Ethyl 1-Benzylpyrazole-3-carboxylate |
CAS: |
174907-58-5 |
Synonyms: |
1-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester; ethyl 1-benzylpyrazole-3-carboxylate |
IUPAC Name: | ethyl 1-benzylpyrazole-3-carboxylate |
Description: | Ethyl 1-Benzylpyrazole-3-carboxylate (CAS# 174907-58-5 ) is a useful research chemical. |
Molecular Weight: | 230.26 |
Molecular Formula: | C13H14N2O2 |
Canonical SMILES: | CCOC(=O)C1=NN(C=C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H14N2O2/c1-2-17-13(16)12-8-9-15(14-12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3 |
InChI Key: | XPYPKZBZUMCFEU-UHFFFAOYSA-N |
LogP: | 2.10810 |
Publication Number | Title | Priority Date |
US-2021139494-A1 | Heterocyclic rip1 inhibitory compounds | 20191107 |
WO-2021092336-A1 | Heterocyclic rip1 inhibitory compounds | 20191107 |
US-2021094951-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
WO-2021046515-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
US-2021009525-A1 | Crystalline forms of plasma kallikrein inhibitors | 20190708 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.105527694 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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