Cas no 864408-58-2 (1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl-)
864408-58-2 structure
Product Name:1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl-
CAS No:864408-58-2
MF:C12H12N2O
MW:200.236482620239
CID:1850556
PubChem ID:12140384
Update Time:2025-04-21
1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl-
- 3-ethyl-1-phenylpyrazole-4-carbaldehyde
- 1-phenyl-3-ethylpyrazole-4-carbaldehyde
- DTXSID40478380
- 864408-58-2
- SCHEMBL124130
- WAGPCJNMXFYFBB-UHFFFAOYSA-N
- 3-ethyl-1-phenyl-1h-pyrazole-4-carbaldehyde
-
- Inchi： 1S/C12H12N2O/c1-2-12-10(9-15)8-14(13-12)11-6-4-3-5-7-11/h3-9H,2H2,1H3
- InChI Key： WAGPCJNMXFYFBB-UHFFFAOYSA-N
- SMILES： O=CC1=CN(C2C=CC=CC=2)N=C1CC
Computed Properties
- Exact Mass: 200.094963011g/mol
- Monoisotopic Mass: 200.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 34.9?2
1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
864408-58-2 (1H-Pyrazole-4-carboxaldehyde, 3-ethyl-1-phenyl-) Related Products
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