| CAS Number | 956611-49-7 |
| Catalog Number | AG019JYF |
| Chemical Name | 3-(2,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C18H16N2O4/c1-23-13-8-9-14(16(10-13)24-2)17-15(18(21)22)11-20(19-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,22) |
| InChI Key | CGYPKWJUOUPNND-UHFFFAOYSA-N |
| MDL Number | MFCD06655125 |
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.3306 |
| SMILES | COC1=CC(OC)=C(C2C(C(O)=O)=CN(C3=CC=CC=C3)N=2)C=C1 |
| Synonyms | 3-(2,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid,
956611-49-7,
AC1MQT0P,
AC1Q4CCT,
CTK6J9464,
ZINC4200356,
AKOS000118606,
MCULE-4312052000,
NE34892,
EN300-10731,
Z56347558,
3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylic acid,
CID3482019,
3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic Acid,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.336g/mol |
| Monoisotopic Mass | 324.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number