3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid
3-tert-butyl-1-phenylpyrazole-5-carboxylic acid
Also Known As: 3-(tert-butyl)-1-phenyl-1H-pyrazole-5-carboxylic acid|Oprea1_304192|butylphenylpyrazolecarboxylicacid|5-tert-butyl-2-phenylpyrazole-3-carboxylic acid|3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid|KS-000020XT|3508AF|TRANS-2-CHLOROMETHYLVINYLBORONICACID|C-4236|3-tert-Butyl-1-phenyl-pyrazol-carbonsaeure-(5)|5-tert-butyl-2-phenyl-pyrazole-3-carboxylic acid|8W-0331|3- -1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID|3-(tert-butyl)-1-phenylpyrazole-5-carboxylic acid|I04-3867|Pyrazole-5-carboxylic acid, 3-tert-butyl-1-phenyl-|3-(tert-butyl)-1-phenyl-1H-pyrazole-5- carboxylic acid|3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid #|3-(1,1-Dimethylethyl)-1-phenyl-1H-pyrazole-5-carboxylic acid|3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC A|3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12119 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 |
| Monoisotopic Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 93045-47-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)O)C2=CC=CC=C2 |
| InChIKey | JYAMNOJMPNSKGL-UHFFFAOYSA-N |
Product Overview
3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid (CAS 93045-47-7), with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol. IUPAC: 3-tert-butyl-1-phenylpyrazole-5-carboxylic acid.