Basic information
- CAS
36640-39-8- Standard SMILES
OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1- InChIKey
RGRYFKFGOCASDE-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.07164072
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol
- IUPAC
- [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanol
- English name
- 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74
Names & synonyms
36640-39-83-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanolEINECS 253-145-9DTXSID90190106RefChem:92413DTXCID60112597253-145-9(3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanolMFCD019097611H-Pyrazole-4-methanol,3-(4-chlorophenyl)-1-phenyl-
Show more names
1H-Pyrazole-4-methanol, 3-(4-chlorophenyl)-1-phenyl-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methanol(SALTDATA: FREE)
Cambridge id 5916616CHEMBL4206841SCHEMBL11247643CCG-18789AKOS022184476BS-36697DB-028231CS-0308476
Database identifiers
- CAS
36640-39-8- PubChem CID
- 740178
- DTXSID
DTXSID90190106- ChEMBL
CHEMBL4206841- EC Number
- 253-145-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
2 records
Compound notes
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