(2-Ethyl-5-methyl-2H-pyrazol-3-yl)-acetonitrile - CAS 955403-36-8
Catalog: |
BB051869 |
Product Name: |
(2-Ethyl-5-methyl-2H-pyrazol-3-yl)-acetonitrile |
CAS: |
955403-36-8 |
Synonyms: |
2-(1-ethyl-3-methylpyrazol-5-yl)ethanenitrile; (1-Ethyl-3-methyl-1H-pyrazol-5-yl)acetonitrile |
IUPAC Name: | 2-(2-ethyl-5-methylpyrazol-3-yl)acetonitrile |
Molecular Weight: | 149.19 |
Molecular Formula: | C8H11N3 |
Canonical SMILES: | CCN1C(=CC(=N1)C)CC#N |
InChI: | InChI=1S/C8H11N3/c1-3-11-8(4-5-9)6-7(2)10-11/h6H,3-4H2,1-2H3 |
InChI Key: | KYAFNWIZLZGSRU-UHFFFAOYSA-N |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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