1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde - CAS 423768-41-6
Catalog: |
BB025118 |
Product Name: |
1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde |
CAS: |
423768-41-6 |
Synonyms: |
1-(4-fluorophenyl)-5-methylpyrazole-4-carbaldehyde |
IUPAC Name: | 1-(4-fluorophenyl)-5-methylpyrazole-4-carbaldehyde |
Description: | 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde (CAS# 423768-41-6) is a useful research chemical. |
Molecular Weight: | 204.20 |
Molecular Formula: | C11H9FN2O |
Canonical SMILES: | CC1=C(C=NN1C2=CC=C(C=C2)F)C=O |
InChI: | InChI=1S/C11H9FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-7H,1H3 |
InChI Key: | XFVNWAPZODECJD-UHFFFAOYSA-N |
Boiling Point: | 321 ℃ at 760 mmHg |
Melting Point: | 113 ℃ |
Purity: | 95 % |
Density: | 1.21 g/cm3 |
MDL: | MFCD03407349 |
LogP: | 2.13230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10407422-B2 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
US-2019023701-A1 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
WO-2017040449-A1 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
AU-2008251584-A1 | 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists | 20070511 |
AU-2008251584-B2 | 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines and pyridines and 3-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-2-phenyl pyridines as 5-HT7 receptor antagonists | 20070511 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.06989108 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.06989108 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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