1-(2-Tetrahydropyranyl)-1H-pyrazole-5-carboxaldehyde - CAS 957483-88-4
Catalog: |
BB041839 |
Product Name: |
1-(2-Tetrahydropyranyl)-1H-pyrazole-5-carboxaldehyde |
CAS: |
957483-88-4 |
Synonyms: |
2-(oxan-2-yl)pyrazole-3-carbaldehyde |
IUPAC Name: | 2-(oxan-2-yl)pyrazole-3-carbaldehyde |
Description: | 1-(2-Tetrahydropyranyl)-1H-pyrazole-5-carboxaldehyde (CAS# 957483-88-4) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | C1CCOC(C1)N2C(=CC=N2)C=O |
InChI: | InChI=1S/C9H12N2O2/c12-7-8-4-5-10-11(8)9-3-1-2-6-13-9/h4-5,7,9H,1-3,6H2 |
InChI Key: | LJKATJHBJPFKBQ-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.126 g/mL at 25 °C |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD07186538 |
LogP: | 1.39470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
JP-2014111586-A | Medicine containing heteroaromatic ring derivative | 20121109 |
EP-2814830-A1 | Tricyclic compounds and methods of use therefor | 20120217 |
US-2013217666-A1 | Tricyclic compounds and methods of use therefor | 20120217 |
US-2015166569-A1 | Tricyclic compounds and methods of use therefor | 20120217 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.089877630 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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