2-[1-(Propan-2-yl)-1H-pyrazol-3-yl]acetonitrile - CAS 1260659-17-3
Catalog: |
BB051888 |
Product Name: |
2-[1-(Propan-2-yl)-1H-pyrazol-3-yl]acetonitrile |
CAS: |
1260659-17-3 |
Synonyms: |
(1-isopropyl-1H-pyrazol-3-yl)acetonitrile; 2-[1-(methylethyl)pyrazol-3-yl]ethanenitrile |
IUPAC Name: | 2-(1-propan-2-ylpyrazol-3-yl)acetonitrile |
Molecular Weight: | 149.19 |
Molecular Formula: | C8H11N3 |
Canonical SMILES: | CC(C)N1C=CC(=N1)CC#N |
InChI: | InChI=1S/C8H11N3/c1-7(2)11-6-4-8(10-11)3-5-9/h4,6-7H,3H2,1-2H3 |
InChI Key: | RZPUZBJXKADSBX-UHFFFAOYSA-N |
Complexity: | 167 |
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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