4-Bromo-1-(3-hydroxypropyl)pyrazole - CAS 925180-06-9
Catalog: |
BB040552 |
Product Name: |
4-Bromo-1-(3-hydroxypropyl)pyrazole |
CAS: |
925180-06-9 |
Synonyms: |
3-(4-bromo-1-pyrazolyl)-1-propanol; 3-(4-bromopyrazol-1-yl)propan-1-ol |
IUPAC Name: | 3-(4-bromopyrazol-1-yl)propan-1-ol |
Description: | 4-Bromo-1-(3-hydroxypropyl)pyrazole (CAS# 925180-06-9) is a useful research chemical. |
Molecular Weight: | 205.05 |
Molecular Formula: | C6H9BrN2O |
Canonical SMILES: | C1=C(C=NN1CCCO)Br |
InChI: | InChI=1S/C6H9BrN2O/c7-6-4-8-9(5-6)2-1-3-10/h4-5,10H,1-3H2 |
InChI Key: | YQLRCJHEXNYUIH-UHFFFAOYSA-N |
MDL: | MFCD06804869 |
LogP: | 1.02800 |
Publication Number | Title | Priority Date |
WO-2020172324-A1 | Nurr1 receptor modulators | 20190219 |
EP-2646448-B1 | Macrocyclic kinase inhibitors | 20101129 |
ES-2645508-T3 | Macrocyclic kinase inhibitors | 20101129 |
JP-2013545769-A | Macrocyclic kinase inhibitor | 20101129 |
JP-6000273-B2 | Macrocyclic kinase inhibitor | 20101129 |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.98983 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.98983 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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