Methyl 3-Formyl-1-methyl-1H-pyrazole-5-carboxylate - CAS 1031351-95-7
Catalog: |
BB001023 |
Product Name: |
Methyl 3-Formyl-1-methyl-1H-pyrazole-5-carboxylate |
CAS: |
1031351-95-7 |
Synonyms: |
5-formyl-2-methyl-3-pyrazolecarboxylic acid methyl ester; methyl 5-formyl-2-methylpyrazole-3-carboxylate |
IUPAC Name: | methyl 5-formyl-2-methylpyrazole-3-carboxylate |
Description: | Methyl 3-Formyl-1-methyl-1H-pyrazole-5-carboxylate (CAS# 1031351-95-7) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | CN1C(=CC(=N1)C=O)C(=O)OC |
InChI: | InChI=1S/C7H8N2O3/c1-9-6(7(11)12-2)3-5(4-10)8-9/h3-4H,1-2H3 |
InChI Key: | VPSIMTTZTQHQNU-UHFFFAOYSA-N |
LogP: | 0.01920 |
Publication Number | Title | Priority Date |
WO-2019090076-A1 | Modulators of the integrated stress pathway | 20171102 |
BR-112020008839-A2 | modulators of the integrated stress pathway | 20171102 |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
KR-20200096522-A | Modulators of the integrated stress pathway | 20171102 |
US-2020345727-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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