5-benzhydryl-1H-pyrazole
Basic information
- CAS
143547-74-4- Standard SMILES
c1ccc(C(c2ccccc2)c2ccn[nH]2)cc1- InChIKey
MQENKFASEBTSNQ-UHFFFAOYSA-N- Molecular formula
- C16H14N2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.11569846
Names & identifiers
- Preferred name
- 5-benzhydryl-1H-pyrazole
- IUPAC
- 5-benzhydryl-1H-pyrazole
- English name
- 5-Benzhydryl-1H-pyrazole, 97
- Molecular formula
- C16H14N2
- Molecular weight
- 234.3
Names & synonyms
5-benzhydryl-1H-pyrazole143547-74-4DTXSID80384471RefChem:301147DTXCID503354953-Benzhydryl-1H-pyrazole5-(Diphenylmethyl)-1H-pyrazoleMFCD001048425-BENZHYDRYL-1H-PYRAZOLE, 975-(diphenylmethyl)pyrazoleMLS001181622SCHEMBL5865716
Show more names
1H-Pyrazole, 3-(diphenylmethyl)-
CHEMBL1554761HMS2877L17CCG-41038SBB079201AKOS005069593NCGC00246636-01SMR00056735411T-0869
Database identifiers
- CAS
143547-74-4- PubChem CID
- 2806015
- DTXSID
DTXSID80384471- ChEMBL
CHEMBL1554761
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Solubility9.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 89 · 89-90°
- Boiling point
- 401.3 · 401.3±14.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- pka
- 14.24 · 14.24±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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