(1-(4-Methoxyphenyl)-3-(3-pyridinyl)-1H-pyrazol-4-YL)methanol
Basic information
- CAS
618383-39-4- Standard SMILES
COc1ccc(-n2cc(CO)c(-c3cccnc3)n2)cc1- InChIKey
JEYQXVXQTHCSCZ-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.11642673
Names & identifiers
- Preferred name
- (1-(4-Methoxyphenyl)-3-(3-pyridinyl)-1H-pyrazol-4-YL)methanol
- IUPAC
- [1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
- English name
- (1-(4-Methoxyphenyl)-3-(pyridin-3-yl)-1H-pyrazol-4-yl)methanol
- Molecular formula
- C16H15N3O2
- Molecular weight
- 281.31
Names & synonyms
618383-39-4(1-(4-Methoxyphenyl)-3-(3-pyridinyl)-1H-pyrazol-4-YL)methanol[1-(4-methoxyphenyl)-3-(3-pyridinyl)-1H-pyrazol-4-yl]methanolRefChem:391771649-472-5(1-(4-METHOXYPHENYL)-3-(PYRIDIN-3-YL)-1H-PYRAZOL-4-YL)METHANOL[1-(4-methoxyphenyl)-3-pyridin-3-ylpyrazol-4-yl]methanolAKOS024412300ST51232863SALOR-INT L324493-1EA1H-Pyrazole-4-methanol, 1-(4-methoxyphenyl)-3-(3-pyridinyl)-
Database identifiers
- CAS
618383-39-4- PubChem CID
- 3554291
- EC Number
- 649-472-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 511.6 · 511.6±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 13 · 13+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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