4-Pyrazolecarboxaldehyde - CAS 35344-95-7
Catalog: |
BB022613 |
Product Name: |
4-Pyrazolecarboxaldehyde |
CAS: |
35344-95-7 |
Synonyms: |
1H-pyrazole-4-carboxaldehyde; 1H-pyrazole-4-carbaldehyde |
IUPAC Name: | 1H-pyrazole-4-carbaldehyde |
Description: | 4-Pyrazolecarboxaldehyde (CAS# 35344-95-7) is a reactant in the preparation of 1, 3-disubstituted-pyrazole derivatives as new class I and IIb histone deacetylase inhibitors. |
Molecular Weight: | 96.09 |
Molecular Formula: | C4H4N2O |
Canonical SMILES: | C1=C(C=NN1)C=O |
InChI: | InChI=1S/C4H4N2O/c7-3-4-1-5-6-2-4/h1-3H,(H,5,6) |
InChI Key: | LRGBDJBDJXZTTD-UHFFFAOYSA-N |
Boiling Point: | 300 °C at 760 mmHg |
Density: | 1.322 g/cm3 |
Appearance: | Yellowish-brown or off-white solid |
MDL: | MFCD02179514 |
LogP: | 0.22220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111620878-A | Pyrrolopyrimidine derivatives as protein kinase inhibitors and application thereof | 20200610 |
KR-20210109861-A | Novel carboxamide compound and compositions for preventing or treating metabolic diseases comprising the same | 20200228 |
WO-2021155050-A1 | Kinase modulators, pharmaceutical compositions, and therapeutic applications | 20200129 |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
WO-2021115444-A1 | MONOCYCLIC β-LACTAM COMPOUND AND USE THEREOF | 20191213 |
PMID | Publication Date | Title | Journal |
22059000 | 20110901 | 2-[5-Methyl-2-(propan-2-yl)phen-oxy]-N'-{2-[5-methyl-2-(propan-2-yl)phen-oxy]acet-yl}acetohydrazide | Acta crystallographica. Section E, Structure reports online |
21342734 | 20110401 | Synthesis and biological evaluation of some 4-functionalized-pyrazoles as antimicrobial agents | European journal of medicinal chemistry |
21754067 | 20110401 | 1-Methyl-5-phen-oxy-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde oxime | Acta crystallographica. Section E, Structure reports online |
21522468 | 20110226 | (E)-1-Methyl-5-(3-methyl-4-chloro-phen-oxy)-3-trifluoro-meth-yl-1H-pyrazole-4-carbaldehyde O-acetyl-oxime | Acta crystallographica. Section E, Structure reports online |
21522469 | 20110226 | (E)-3-Methyl-5-(4-methyl-phen-oxy)-1-phenyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime | Acta crystallographica. Section E, Structure reports online |
Complexity: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.032362755 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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