[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
Basic information
- CAS
956573-26-5- Standard SMILES
COc1cccc(-c2nn(Cc3ccccc3)cc2CO)c1- InChIKey
DRORXPKWRSRKQX-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- [1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
- IUPAC
- [1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanol
- English name
- [1-Benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
- Molecular formula
- C18H18N2O2
- Molecular weight
- 294.35
Names & synonyms
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol(1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl)methanolRefChem:392050978-774-2956573-26-5[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanolMLS001233761CHEMBL1534215SCHEMBL25383408DTXSID001326097HMS1748N06HMS2896M05
Show more names
1H-Pyrazole-4-methanol, 3-(3-methoxyphenyl)-1-(phenylmethyl)-
AKOS034637219SMR000595072CS-0225104EN300-12271G21866AB00731085-01Z85929892
Database identifiers
- CAS
956573-26-5- PubChem CID
- 2496576
- DTXSID
DTXSID001326097- ChEMBL
CHEMBL1534215- EC Number
- 978-774-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Solubility26.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 510.3 · 510.3±50.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 13.95 · 13.95±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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