| CAS Number | 1002284-36-7 |
| Catalog Number | AG01BE0L |
| Chemical Name | 1-(2-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-methylphenyl)-5-propylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C14H16N2O2/c1-3-6-13-11(14(17)18)9-15-16(13)12-8-5-4-7-10(12)2/h4-5,7-9H,3,6H2,1-2H3,(H,17,18) |
| InChI Key | IFAZQBJFNXWODZ-UHFFFAOYSA-N |
| MDL Number | MFCD10451915 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.2890 |
| SMILES | CCCC1N(C2=C(C)C=CC=C2)N=CC=1C(O)=O |
| Synonyms | 1-(2-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid,
1002284-36-7,
AC1OZH61,
ZINC6774738,
AKOS005864490,
MCULE-9018227257,
NE41412,
1-(2-methylphenyl)-5-propylpyrazole-4-carboxylic acid,
Z1863617866,
CID8080156,
1-(2-methylphenyl)-5-propyl-pyrazole-4-carboxylic Acid,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.294g/mol |
| Monoisotopic Mass | 244.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number