3-[3-(Trifluoromethyl)-4-pyrazolyl]-1-propanol - CAS 169213-78-9
Catalog: |
BB012525 |
Product Name: |
3-[3-(Trifluoromethyl)-4-pyrazolyl]-1-propanol |
CAS: |
169213-78-9 |
Synonyms: |
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-propanol; 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol |
IUPAC Name: | 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol |
Description: | 3-[3-(Trifluoromethyl)-4-pyrazolyl]-1-propanol (CAS# 169213-78-9) is a useful research chemical. |
Molecular Weight: | 194.15 |
Molecular Formula: | C7H9F3N2O |
Canonical SMILES: | C1=NNC(=C1CCCO)C(F)(F)F |
InChI: | InChI=1S/C7H9F3N2O/c8-7(9,10)6-5(2-1-3-13)4-11-12-6/h4,13H,1-3H2,(H,11,12) |
InChI Key: | MAJMCQXRRMHIEJ-UHFFFAOYSA-N |
LogP: | 1.35340 |
Publication Number | Title | Priority Date |
EP-2788332-A1 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
TW-201336825-A | Sodium channel inhibitors of bicyclic aryl and heteroaryl compounds | 20111207 |
US-2013150339-A1 | Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors | 20111207 |
US-9012443-B2 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
WO-2013086229-A1 | Bicyclic aryl and heteroaryl sodium channel inhibitors | 20111207 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0666974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0666974 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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