1-Ethyl-4-ethynyl-5-methyl-1H-pyrazole - CAS 1354706-48-1
Catalog: |
BB052164 |
Product Name: |
1-Ethyl-4-ethynyl-5-methyl-1H-pyrazole |
CAS: |
1354706-48-1 |
Synonyms: |
1-Ethyl-4-ethynyl-5-methyl-1H-pyrazole |
IUPAC Name: | 1-ethyl-4-ethynyl-5-methylpyrazole |
Molecular Weight: | 134.18 |
Molecular Formula: | C8H10N2 |
Canonical SMILES: | CCN1C(=C(C=N1)C#C)C |
InChI: | InChI=1S/C8H10N2/c1-4-8-6-9-10(5-2)7(8)3/h1,6H,5H2,2-3H3 |
InChI Key: | UYDQKMROEOSXAL-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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