Ethyl 5-(Hydroxymethyl)pyrazole-3-carboxylate - CAS 61453-48-3
Catalog: |
BB031115 |
Product Name: |
Ethyl 5-(Hydroxymethyl)pyrazole-3-carboxylate |
CAS: |
61453-48-3 |
Synonyms: |
5-(hydroxymethyl)-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate |
IUPAC Name: | ethyl 5-(hydroxymethyl)-1H-pyrazole-3-carboxylate |
Description: | Ethyl 5-(Hydroxymethyl)pyrazole-3-carboxylate (CAS# 61453-48-3) is a useful research chemical. |
Molecular Weight: | 170.17 |
Molecular Formula: | C7H10N2O3 |
Canonical SMILES: | CCOC(=O)C1=NNC(=C1)CO |
InChI: | InChI=1S/C7H10N2O3/c1-2-12-7(11)6-3-5(4-10)8-9-6/h3,10H,2,4H2,1H3,(H,8,9) |
InChI Key: | NRCLMYRLGIMSIX-UHFFFAOYSA-N |
LogP: | 0.07870 |
Publication Number | Title | Priority Date |
CN-112939948-A | Novel quinazoline-containing compound, intermediate and application thereof | 20191211 |
WO-2021115432-A1 | Novel quinazoline-containing compound, and intermediate thereof and use thereof | 20191211 |
WO-2021099580-A1 | Macrocyclic sulfonyl derivatives as mcl-1 inhibitors | 20191121 |
AU-2018300043-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
CA-3067944-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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