1-Benzylpyrazole-3-carbonitrile - CAS 1427475-28-2
Catalog: |
BB009437 |
Product Name: |
1-Benzylpyrazole-3-carbonitrile |
CAS: |
1427475-28-2 |
Synonyms: |
1-(phenylmethyl)-3-pyrazolecarbonitrile; 1-benzylpyrazole-3-carbonitrile |
IUPAC Name: | 1-benzylpyrazole-3-carbonitrile |
Description: | 1-Benzylpyrazole-3-carbonitrile (CAS# 1427475-28-2) is a useful research chemical. |
Molecular Weight: | 183.21 |
Molecular Formula: | C11H9N3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=CC(=N2)C#N |
InChI: | InChI=1S/C11H9N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,9H2 |
InChI Key: | JVLQVIPFAWLBCD-UHFFFAOYSA-N |
LogP: | 1.80308 |
Publication Number | Title | Priority Date |
TW-201546060-A | TROPOMYOSIN-RELATED kinase inhibitor | 20140507 |
CN-103958508-B | For treating cancer and the immune cell death inducer with autoimmune disease | 20111014 |
CN-109535155-A | For treating cancer and the immune cell death inducer with autoimmune disease | 20111014 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0796473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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