1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile - CAS 108161-13-3
Catalog: |
BB002180 |
Product Name: |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
CAS: |
108161-13-3 |
Synonyms: |
1,3,5-trimethylpyrazole-4-carbonitrile |
IUPAC Name: | 1,3,5-trimethylpyrazole-4-carbonitrile |
Description: | 1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile (CAS# 108161-13-3) is a useful research chemical. |
Molecular Weight: | 135.17 |
Molecular Formula: | C7H9N3 |
Canonical SMILES: | CC1=C(C(=NN1C)C)C#N |
InChI: | InChI=1S/C7H9N3/c1-5-7(4-8)6(2)10(3)9-5/h1-3H3 |
InChI Key: | LLHFZIYFAUWQTM-UHFFFAOYSA-N |
Boiling Point: | 251.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.07 g/cm3 |
MDL: | MFCD00173421 |
LogP: | 0.90858 |
Publication Number | Title | Priority Date |
US-2017305922-A1 | Carm1 inhibitors and uses thereof | 20140917 |
US-2011006670-A1 | Organic electroluminescence element, new compound for the same, display device and lighting device using the same | 20090707 |
US-2007135631-A1 | Heterocyclic cetp inhibitors | 20051123 |
US-2007161685-A1 | Heterocyclic cetp inhibitors | 20051123 |
US-2012322761-A1 | Heterocyclic cetp inhibitors | 20051123 |
Complexity: | 169 |
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: | 0 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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