Ethyl 5-(4-Pyridinyl)pyrazole-3-carboxylate - CAS 911461-42-2
Catalog: |
BB040057 |
Product Name: |
Ethyl 5-(4-Pyridinyl)pyrazole-3-carboxylate |
CAS: |
911461-42-2 |
Synonyms: |
3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid ethyl ester; ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate |
IUPAC Name: | ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate |
Description: | Ethyl 5-(4-Pyridinyl)pyrazole-3-carboxylate (CAS# 911461-42-2) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C11H11N3O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=NN1)C2=CC=NC=C2 |
InChI: | InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,13,14) |
InChI Key: | DKADLBFTYWLLOD-UHFFFAOYSA-N |
LogP: | 1.20990 |
Publication Number | Title | Priority Date |
KR-20160137576-A | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | 20140327 |
US-2017174690-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | 20140327 |
WO-2015103060-A1 | Trpa1 modulators | 20140106 |
US-2009253745-A1 | Modulators of ocular oxidative stress | 20071128 |
AU-2003301226-A1 | Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | 20021220 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.085126602 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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