1-(1-Benzyl-1H-pyrazol-4-yl)-ethanone - CAS 1188263-60-6
Catalog: |
BB073220 |
Product Name: |
1-(1-Benzyl-1H-pyrazol-4-yl)-ethanone |
CAS: |
1188263-60-6 |
Synonyms: |
1-(1-BENZYL-1H-PYRAZOL-4-YL)-ETHANONE; 1-(1-benzyl-1H-pyrazol-4-yl)ethan-1-one; 1-(1-benzylpyrazol-4-yl)ethanone; 1-(1-Benzyl-4-pyrazolyl)ethanone |
IUPAC Name: | 1-(1-benzylpyrazol-4-yl)ethanone |
Description: | 1-(1-Benzyl-1H-pyrazol-4-yl)-ethanone can be used as c-Met inhibitors to treat cancer. |
Molecular Weight: | 200.23 |
Molecular Formula: | C12H12N2O |
Canonical SMILES: | CC(=O)C1=CN(N=C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H12N2O/c1-10(15)12-7-13-14(9-12)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3 |
InChI Key: | NOKBKNYKUSDAPF-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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