3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid
CAS No.:
100142-73-2
M. Wt:
216.23600
M. Fa:
C12H12N2O2
InChI Key:
NBHCOIXHQRCPQV-UHFFFAOYSA-N
Appearance:
White To Off-White Solid
Names and Identifiers of 100142-73-2
CAS Number |
100142-73-2 |
|---|---|
EC Number |
852-666-4 |
MDL Number |
MFCD02181745 |
IUPAC Name |
3-(1-phenylpyrazol-4-yl)propanoic acid |
InChI |
InChI=1S/C12H12N2O2/c15-12(16)7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,15,16) |
InChIKey |
NBHCOIXHQRCPQV-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 100142-73-2
Boiling Point |
393.8ºC at 760mmHg |
|---|---|
Exact Mass |
216.09000 |
Flash Point |
192ºC |
H Bond Acceptors |
3 |
H Bond Donors |
1 |
Index of Refraction |
1.603 |
LogP |
1.88950 |
Molecular Formula |
C12H12N2O2 |
Molecular Weight |
216.23600 |
PSA |
55.12000 |
Vapour Pressure |
6.59E-07mmHg at 25°C |
Safety Information of 100142-73-2
Applications of 100142-73-2
3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid holds potential applications in:
- Pharmaceutical Development: As a lead compound for developing new anti-inflammatory or analgesic drugs.
- Biochemical Research: As a probe in studies investigating pyrazole-related biological pathways.
- Material Science: Potential use in synthesizing polymers or other materials due to its reactive functional groups.
Interaction Studies of 100142-73-2
Interaction studies involving 3-(1-phenyl-1H-pyrazol-4-yl)propanoic acid focus on its binding affinity to various biological targets. Preliminary findings suggest that compounds with similar structures may interact with cyclooxygenase enzymes, potentially inhibiting their activity and thus reducing inflammation and pain. Further research is needed to elucidate specific interactions and mechanisms.
Physical sample testing spectrum (NMR) of 100142-73-2
Cas:54605-72-0
