1,3-Diphenylpyrazole-4-propionic acid - CAS 108446-77-1
Catalog: |
BB002263 |
Product Name: |
1,3-Diphenylpyrazole-4-propionic acid |
CAS: |
108446-77-1 |
Synonyms: |
3-(1,3-diphenylpyrazol-4-yl)propanoic acid |
IUPAC Name: | 3-(1,3-diphenylpyrazol-4-yl)propanoic acid |
Description: | 1,3-Diphenylpyrazole-4-propionic acid (CAS# 108446-77-1) is a useful research chemical. |
Molecular Weight: | 292.33 |
Molecular Formula: | C18H16N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H16N2O2/c21-17(22)12-11-15-13-20(16-9-5-2-6-10-16)19-18(15)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,22) |
InChI Key: | LMHUSEBWZSOLAN-UHFFFAOYSA-N |
Boiling Point: | 510.9 °C at 760 mmHg |
Melting Point: | 140-144 °C |
Purity: | 95 % |
Density: | 1.18 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02714747 |
LogP: | 3.55650 |
Publication Number | Title | Priority Date |
EP-3642630-A1 | Lysine reactive probes and uses thereof | 20170623 |
US-2018372751-A1 | Lysine reactive probes and uses thereof | 20170623 |
WO-2018237334-A1 | LYSINE-REACTIVE PROBES AND USES THEREOF | 20170623 |
US-2021255193-A1 | Lysine reactive probes and uses thereof | 20170623 |
EP-2176228-A1 | Novel pyrazole derivatives useful as potassium channel modulators | 20070704 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.121177757 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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