Ethyl 3-methylpyrazole-4-carboxylate - CAS 85290-78-4
Catalog: |
BB037578 |
Product Name: |
Ethyl 3-methylpyrazole-4-carboxylate |
CAS: |
85290-78-4 |
Synonyms: |
ethyl 5-methyl-1H-pyrazole-4-carboxylate |
IUPAC Name: | ethyl 5-methyl-1H-pyrazole-4-carboxylate |
Description: | Shows systemic antifungal activity accompanied by high levels of phytotoxicity. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(NN=C1)C |
InChI: | InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9-5(6)2/h4H,3H2,1-2H3,(H,8,9) |
InChI Key: | HHYVTIKYZUMDIL-UHFFFAOYSA-N |
Appearance: | Yellow solid |
LogP: | 0.89480 |
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 |
CN-112661754-A | Polycyclic compound for inhibiting RNA helicase DHX33 | 20201230 |
CN-112174891-A | Preparation method of penflufen metabolite | 20201102 |
WO-2021181122-A1 | Gpr52 modulator compounds | 20200313 |
WO-2021079121-A1 | Benzodiazepine derivatives for treating a respiratory syncytial virus (rsv) infection | 20191022 |
EP-3766879-A1 | Pesticidal pyrazole derivatives | 20190719 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Related Functional Groups
Pyrazoles
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