2-Propenoic acid, 3-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, (2E)-
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Basic information
- CAS
519137-44-1- Standard SMILES
O=C(O)C=Cc1cn(-c2ccccc2)nc1-c1cccs1- InChIKey
JYTTUZGNGPOHCQ-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.0619488
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, (2E)-
- IUPAC
- 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid
- English name
- 3-(1-PHENYL-3-THIOPHEN-2-YL-1H-PYRAZOL-4-YL)-ACRYLIC ACID
- Molecular formula
- C16H12N2O2S
- Molecular weight
- 296.34
Names & synonyms
2-Propenoic acid, 3-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, (2E)-519137-44-13-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acidDTXSID60358079UVA137443-(1-PHENYL-3-THIOPHEN-2-YL-1H-PYRAZOL-4-YL)-ACRYLIC ACID2-Propenoic acid, 3-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
Database identifiers
- CAS
519137-44-1- PubChem CID
- 876548
- DTXSID
DTXSID60358079
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
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Compound notes
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