3-[(3-Methyl-1H-pyrazol-5-yl)oxy]propanenitrile - CAS 112484-89-6
Catalog: |
BB052860 |
Product Name: |
3-[(3-Methyl-1H-pyrazol-5-yl)oxy]propanenitrile |
CAS: |
112484-89-6 |
Synonyms: |
3-((3-Methyl-1H-pyrazol-5-yl)oxy)propanenitrile; 3-(3-methylpyrazol-5-yloxy)propanenitrile |
IUPAC Name: | 3-[(5-methyl-1H-pyrazol-3-yl)oxy]propanenitrile |
Molecular Weight: | 151.17 |
Molecular Formula: | C7H9N3O |
Canonical SMILES: | CC1=CC(=NN1)OCCC#N |
InChI: | InChI=1S/C7H9N3O/c1-6-5-7(10-9-6)11-4-2-3-8/h5H,2,4H2,1H3,(H,9,10) |
InChI Key: | QTTCUOWOQPRZEW-UHFFFAOYSA-N |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.074561919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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