Basic information
- CAS
1578-89-8- Standard SMILES
COc1ccc(C2=NNC(=O)C2)cc1- InChIKey
QOOURZOOVQWRCB-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
- English name
- 2,4-Dihydro-5-(4-methoxyphenyl)-3H-pyrazol-3-one
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
1578-89-85-(4-Methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-oneDTXSID90345538RefChem:300000DTXCID302966113-(4-Methoxyphenyl)-1H-pyrazol-5(4H)-one3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one2,4-Dihydro-5-(4-methoxyphenyl)-3h-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-5-onePyrazol-5(4H)-one, 3-(4-methoxyphenyl)-SCHEMBL5560822
Show more names
3H-Pyrazol-3-one,2,4-dihydro-5-(4-methoxyphenyl)-
SBB019023STK397921AKOS002676308ST4146331CS-03339833-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-one5-(4-Methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one #
Database identifiers
- CAS
1578-89-8- PubChem CID
- 605366
- DTXSID
DTXSID90345538
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.40(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
8 records
Compound notes
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