Cas no 875554-08-8 (1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(TRIPHENYLMETHYL)-, METHYL ESTER)
875554-08-8 structure
Product Name:1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(TRIPHENYLMETHYL)-, METHYL ESTER
CAS No:875554-08-8
MF:C24H20N2O2
MW:368.427805900574
CID:3233028
PubChem ID:22439919
Update Time:2025-04-21
1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(TRIPHENYLMETHYL)-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(TRIPHENYLMETHYL)-, METHYL ESTER
- 1-triphenylmethyl-1H-pyrazole-4-carboxylic acid methyl ester
- KAGVWABJIWUQPA-UHFFFAOYSA-N
- 4-methoxycarbonyl-1-(trityl)pyrazole
- SCHEMBL5269393
- 875554-08-8
- DA-40981
-
- Inchi： 1S/C24H20N2O2/c1-28-23(27)19-17-25-26(18-19)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
- InChI Key： KAGVWABJIWUQPA-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=NN(C=1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 368.152477885Da
- Monoisotopic Mass: 368.152477885Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 459
- 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: 4.9
- Topological Polar Surface Area: 44.1?2
1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(TRIPHENYLMETHYL)-, METHYL ESTER Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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