1-Ethyl-3,5-Dimethyl-1H-pyrazole-4-carbaldehyde - CAS 701911-46-8
Catalog: |
BB034094 |
Product Name: |
1-Ethyl-3,5-Dimethyl-1H-pyrazole-4-carbaldehyde |
CAS: |
701911-46-8 |
Synonyms: |
1-ethyl-3,5-dimethylpyrazole-4-carbaldehyde |
IUPAC Name: | 1-ethyl-3,5-dimethylpyrazole-4-carbaldehyde |
Description: | 1-Ethyl-3,5-Dimethyl-1H-pyrazole-4-carbaldehyde (CAS# 701911-46-8) is a useful research chemical. |
Molecular Weight: | 152.19 |
Molecular Formula: | C8H12N2O |
Canonical SMILES: | CCN1C(=C(C(=N1)C)C=O)C |
InChI: | InChI=1S/C8H12N2O/c1-4-10-7(3)8(5-11)6(2)9-10/h5H,4H2,1-3H3 |
InChI Key: | NDKOKWXOWTVYJR-UHFFFAOYSA-N |
Boiling Point: | 255 ℃ at 760 mmHg |
Density: | 1.06 g/cm3 |
MDL: | MFCD02253752 |
LogP: | 1.33230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10851073-B2 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2020299246-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
WO-2020186199-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
TW-202100515-A | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20190314 |
US-2017145013-A1 | Dihydropteridinone derivatives and uses thereof | 20140808 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Carbonyl Compounds
Pyrazoles
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