Basic information
- CAS
21487-49-0- Standard SMILES
O=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1- InChIKey
CUVWNYMQNJNFGB-UHFFFAOYSA-N- Molecular formula
- C16H11N3O3
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.08004122
Names & identifiers
- Preferred name
- 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehyde
- English name
- 3-(4-Nitro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C16H11N3O3
- Molecular weight
- 293.28
Names & synonyms
21487-49-03-(4-NITROPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE3-(4-Nitro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehydeMFCD01131658CHEMBL2397428SCHEMBL23928543DTXSID30359997WAA48749SBB076147AKOS003609787NS-04921
Show more names
1H-Pyrazole-4-carboxaldehyde, 3-(4-nitrophenyl)-1-phenyl-JR-2377, 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde, 97%
CS-0219961EN300-054313-(4-nitrophenyl)-1-phenyl-pyrazole-4-carbaldehydeZ56800526
Database identifiers
- CAS
21487-49-0- PubChem CID
- 1051908
- DTXSID
DTXSID30359997- ChEMBL
CHEMBL2397428- Nikkaji
- J2.159.739B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
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 information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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