3-(1-Methyl-1H-pyrazol-4-yl)propanenitrile - CAS 1251093-41-0
Catalog: |
BB051937 |
Product Name: |
3-(1-Methyl-1H-pyrazol-4-yl)propanenitrile |
CAS: |
1251093-41-0 |
Synonyms: |
3-(1-methyl-1H-pyrazol-4-yl)propanenitrile |
IUPAC Name: | 3-(1-methylpyrazol-4-yl)propanenitrile |
Molecular Weight: | 135.17 |
Molecular Formula: | C7H9N3 |
Canonical SMILES: | CN1C=C(C=N1)CCC#N |
InChI: | InChI=1S/C7H9N3/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-3H2,1H3 |
InChI Key: | NUKPJBPVHATVLR-UHFFFAOYSA-N |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.0796473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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