3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole
Basic information
- CAS
10180-02-6- Standard SMILES
Clc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1- InChIKey
XTIRIQRCSVUTJZ-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.1080262
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole
- IUPAC
- 5-(4-chlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
Names & synonyms
10180-02-6DTXSID0012063603-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazoleRefChem:1066817DTXCID7016377683-(4-chlorophenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole5-(4-chlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole3-(4-chlorophenyl)-1,5-diphenyl-2-pyrazolineVU0467056-13-(p-Chlorophenyl)-1,5-diphenyl-2-pyrazoline2-Pyrazoline, 3-(p-chlorophenyl)-1,5-diphenyl-NSC409747
Show more names
1H-Pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-1,5-diphenyl-SCHEMBL554670cid_101167CHEMBL2140955BDBM91542STK860221AKOS001715088AKOS016340078
Database identifiers
- CAS
10180-02-6- PubChem CID
- 101167
- DTXSID
DTXSID001206360- ChEMBL
CHEMBL2140955- Nikkaji
- J574.110F
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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