| CAS Number | 1177331-73-5 |
| Catalog Number | AG01AQQ8 |
| Chemical Name | 1-methyl-3-(naphthalen-2-yl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 2-methyl-5-naphthalen-2-ylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C15H12N2O2/c1-17-14(15(18)19)9-13(16-17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,18,19) |
| InChI Key | JDKYTESQTLBINV-UHFFFAOYSA-N |
| MDL Number | MFCD16652634 |
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.2680 |
| SMILES | CN1C(C(O)=O)=CC(C2=CC3=C(C=CC=C3)C=C2)=N1 |
| Synonyms | 1-methyl-3-(2-naphthyl)-1{H}-pyrazole-5-carboxylic acid,
1177331-73-5,
ZINC26420231,
AKOS005207699,
2-methyl-5-(naphthalen-2-yl)pyrazole-3-carboxylic acid,
F1967-0169,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.273g/mol |
| Monoisotopic Mass | 252.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number