5-pyridin-3-yl-4H-pyrazole-3-carboxylic acid - CAS 374064-01-4
Catalog: |
BB023274 |
Product Name: |
5-pyridin-3-yl-4H-pyrazole-3-carboxylic acid |
CAS: |
374064-01-4 |
Synonyms: |
3-(3-pyridinyl)-1H-pyrazole-5-carboxylic acid; 3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-pyridin-3-yl-1H-pyrazole-5-carboxylic acid |
Description: | 5-pyridin-3-yl-4H-pyrazole-3-carboxylic acid (CAS# 374064-01-4) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C9H7N3O2 |
Canonical SMILES: | C1=CC(=CN=C1)C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C9H7N3O2/c13-9(14)8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H,11,12)(H,13,14) |
InChI Key: | VZCDZCUPZRFWAW-UHFFFAOYSA-N |
Boiling Point: | 398.3 ℃ at 760 mmHg |
Density: | 1.46 g/cm3 |
MDL: | MFCD05170031 |
LogP: | 1.16990 |
Publication Number | Title | Priority Date |
AU-2018205275-A1 | Methods for the treatment of neurological disorders | 20170106 |
EP-3566055-A1 | Methods for the treatment of neurological disorders | 20170106 |
US-2018193325-A1 | Methods for the treatment of neurological disorders | 20170106 |
WO-2018129403-A1 | Methods for the treatment of neurological disorders | 20170106 |
US-10973810-B2 | Methods for the treatment of neurological disorders | 20170106 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.053826475 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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