1-Ethyl-3-(methylethyl)pyrazole - CAS 1328640-32-9
Catalog: |
BB051997 |
Product Name: |
1-Ethyl-3-(methylethyl)pyrazole |
CAS: |
1328640-32-9 |
Synonyms: |
1-ethyl-3-isopropyl-1H-pyrazole; 1-ethyl-3-(propan-2-yl)-1H-pyrazole |
IUPAC Name: | 1-ethyl-3-propan-2-ylpyrazole |
Molecular Weight: | 138.21 |
Molecular Formula: | C8H14N2 |
Canonical SMILES: | CCN1C=CC(=N1)C(C)C |
InChI: | InChI=1S/C8H14N2/c1-4-10-6-5-8(9-10)7(2)3/h5-7H,4H2,1-3H3 |
InChI Key: | YGRLDZCXSKNIRP-UHFFFAOYSA-N |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.115698455 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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