3-Methyl-1H-pyrazole-5-carbaldehyde - CAS 3273-44-7
Catalog: |
BB021389 |
Product Name: |
3-Methyl-1H-pyrazole-5-carbaldehyde |
CAS: |
3273-44-7 |
Synonyms: |
5-methyl-1H-pyrazole-3-carboxaldehyde; 5-methyl-1H-pyrazole-3-carbaldehyde |
IUPAC Name: | 5-methyl-1H-pyrazole-3-carbaldehyde |
Description: | 3-Methyl-1H-pyrazole-5-carbaldehyde (CAS# 3273-44-7) is a useful research chemical. |
Molecular Weight: | 110.11 |
Molecular Formula: | C5H6N2O |
Canonical SMILES: | CC1=CC(=NN1)C=O |
InChI: | InChI=1S/C5H6N2O/c1-4-2-5(3-8)7-6-4/h2-3H,1H3,(H,6,7) |
InChI Key: | CZAZDIRRZHGKBI-UHFFFAOYSA-N |
Boiling Point: | 294.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.238 g/cm3 |
MDL: | MFCD00159629 |
LogP: | 0.53060 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201927779-A | 1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor | 20171220 |
US-2019194189-A1 | 1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors | 20171220 |
WO-2019121885-A1 | 1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors | 20171220 |
CN-111556871-A | 1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors | 20171220 |
EP-3728249-A1 | 1H -PYRAZOLO[4,3-b ]PYRIDINES AS PDE1 INHIBITORS | 20171220 |
PMID | Publication Date | Title | Journal |
21103467 | 20110107 | Synthesis and characterization of homo- and heterodinuclear M(II)-M'(III) (M(II) = Mn or Fe, M'(III) = Fe or Co) mixed-valence supramolecular pseudo-dimers. The effect of hydrogen bonding on spin state selection of M(II) | Dalton transactions (Cambridge, England : 2003) |
17200748 | 20070121 | Synthesis and characterization of a spin crossover iron(II)-iron(III) mixed valence supramolecular pseudo-dimer exhibiting chiral recognition, hydrogen bonding, and pi-pi interactions | Dalton transactions (Cambridge, England : 2003) |
15907114 | 20050530 | Copper(II) mediated anion dependent formation of Schiff base complexes | Inorganic chemistry |
12401086 | 20021104 | Novel copper(II) induced formation of a porphyrinogen derivative: X-ray structural, spectroscopic, and electrochemical studies of porphyrinogen complexes of Cu(II) and Co(III) complex of a trispyrazolyl tripodal ligand | Inorganic chemistry |
Complexity: | 94.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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