Cas no 618102-20-8 (1-M-Tolyl-3-P-tolyl-1H-pyrazole-5-carboxylic acid)
618102-20-8 structure
Product Name:1-M-Tolyl-3-P-tolyl-1H-pyrazole-5-carboxylic acid
CAS No:618102-20-8
MF:C18H16N2O2
MW:292.331844329834
CID:955419
Update Time:2023-08-02
1-M-Tolyl-3-P-tolyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-M-TOLYL-3-P-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
- 1-(3-METHYLPHENYL)-3-(4-METHYLPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
- 1-(m-Tolyl)-3-(p-tolyl)-1H-pyrazole-5-carboxylic acid
- 1-M-Tolyl-3-P-tolyl-1H-pyrazole-5-carboxylic acid
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- Inchi： 1S/C18H16N2O2/c1-12-6-8-14(9-7-12)16-11-17(18(21)22)20(19-16)15-5-3-4-13(2)10-15/h3-11H,1-2H3,(H,21,22)
- InChI Key： BRMDNCOGNHMNIA-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C2C=CC(C)=CC=2)=NN1C1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 292.121
- Monoisotopic Mass: 292.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 393
- 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
- Topological Polar Surface Area: 55.1
1-M-Tolyl-3-P-tolyl-1H-pyrazole-5-carboxylic acid Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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