Basic information
- CAS
55828-88-1- Standard SMILES
COc1ccc(-c2cc(=O)n(-c3ccccc3)[nH]2)cc1- InChIKey
ZRCIDBZVWSGQHB-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-ol
- IUPAC
- 5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
- English name
- 3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazol-5-ol
- Molecular formula
- C16H14N2O2
- Molecular weight
- 266.3
Names & synonyms
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-ol55828-88-15-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one1H-pyrazol-5-ol, 3-(4-methoxyphenyl)-1-phenyl-SCHEMBL13166592DTXSID10353751ALBB-027226STK324850AKOS002332381LS-09324CS-0327246H43445
Show more names
3H-Pyrazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-2-phenyl-
5-(4-Methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
55828-88-1- PubChem CID
- 751024
- DTXSID
DTXSID10353751
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 141 · 141-142 °C(Solv: ethanol (64-17-5); hexane (110-54-3); tetrahydrofuran (109-99-9))
- Boiling point
- 403.6 · 403.6±47.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.5 · 2.50±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
中山市聚科美生物科技有限公司13642727863 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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