1-Methyl-1H-pyrazole-4-carboxaldehyde - CAS 25016-11-9
Catalog: |
BB018698 |
Product Name: |
1-Methyl-1H-pyrazole-4-carboxaldehyde |
CAS: |
25016-11-9 |
Synonyms: |
1-methylpyrazole-4-carbaldehyde |
IUPAC Name: | 1-methylpyrazole-4-carbaldehyde |
Description: | 1-Methyl-1H-pyrazole-4-carboxaldehyde (CAS# 25016-11-9) is a useful research chemical. |
Molecular Weight: | 110.11 |
Molecular Formula: | C5H6N2O |
Canonical SMILES: | CN1C=C(C=N1)C=O |
InChI: | InChI=1S/C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3 |
InChI Key: | MYFZXSOYJVWTBL-UHFFFAOYSA-N |
Boiling Point: | 218.9 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.14 g/cm3 |
MDL: | MFCD00460465 |
LogP: | 0.23260 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021208963-A1 | Bcl-2 inhibitor | 20200415 |
WO-2021211741-A1 | Substituted pyridines for the treatment of inflammatory diseases | 20200414 |
WO-2021185256-A1 | Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof | 20200316 |
WO-2021163727-A1 | Pikfyve kinase inhibitors | 20200211 |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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