3-Cyclopropyl-1-methyl-1H-pyrazol-5-ol - CAS 199125-21-8
Catalog: |
BB069178 |
Product Name: |
3-Cyclopropyl-1-methyl-1H-pyrazol-5-ol |
CAS: |
199125-21-8 |
Synonyms: |
5-cyclopropyl-2-methyl-1H-pyrazol-3-one; 1H-Pyrazol-5-ol, 3-cyclopropyl-1-methyl-; 3-cyclopropyl-1-methyl-1H-pyrazol-5-ol; 3-cyclopropyl-5-hydroxy-1-methylpyrazole |
IUPAC Name: | 5-cyclopropyl-2-methyl-1H-pyrazol-3-one |
Description: | 3-Cyclopropyl-1-methyl-1H-pyrazol-5- is an intermediate in the synthesis of Huanbifucaotong (H459250), used in herbicidal compositions for controlling weeds and other harmful plants. |
Molecular Weight: | 138.17 |
Molecular Formula: | C7H10N2O |
Canonical SMILES: | CN1C(=O)C=C(N1)C2CC2 |
InChI: | InChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h4-5,8H,2-3H2,1H3 |
InChI Key: | DFMGFFMFDKIPBF-UHFFFAOYSA-N |
References: | Zhao, N., et al. Pest Manag. Sci., 75, 3175 (2019); Bayer A.-G., et al. From Eur. Pat. Appl. (2020), EP 3639665 A1 20200422. |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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