Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate - CAS 5744-51-4
Catalog: |
BB029704 |
Product Name: |
Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate |
CAS: |
5744-51-4 |
Synonyms: |
ethyl 1,5-dimethylpyrazole-3-carboxylate |
IUPAC Name: | ethyl 1,5-dimethylpyrazole-3-carboxylate |
Description: | Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate (CAS# 5744-51-4) is a useful research chemical. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=NN(C(=C1)C)C |
InChI: | InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3 |
InChI Key: | OJPXVXXMBWKEAT-UHFFFAOYSA-N |
Boiling Point: | 154 °C / 10 mmHg |
Purity: | 97.0 % |
Density: | 1.12 g/cm3 |
MDL: | MFCD00085071 |
LogP: | 0.90520 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112390758-A | Synthetic process of Laolatinib intermediate 1, 5-dimethyl-1H-pyrazole-3-ethyl formate | 20201202 |
WO-2021092053-A1 | Mcl-1 inhibitor macrocycle compounds for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer | 20191108 |
WO-2021008512-A1 | Compound as nmt inhibitor and use thereof | 20190718 |
WO-2021009068-A1 | N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme | 20190712 |
CN-113272297-A | Pyrazole derivatives as H4 antagonist compounds | 20181019 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.089877630 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.089877630 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Carbonyl Compounds
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