Cas no 20737-59-1 (5-methyl-3-phenyl-1H-pyrazole hydrochloride (1:1))
20737-59-1 structure
Product Name:5-methyl-3-phenyl-1H-pyrazole hydrochloride (1:1)
CAS No:20737-59-1
MF:C10H11ClN2
MW:194.660741090775
CID:1395964
PubChem ID:88676
Update Time:2025-04-20
5-methyl-3-phenyl-1H-pyrazole hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-3-phenyl-1H-pyrazole hydrochloride (1:1)
- 5-methyl-3-phenyl-1H-pyrazole,hydrochloride
- DTXSID30174809
- 3-Methyl-5-phenylpyrazole hydrochloride
- 20737-59-1
- Pyrazole, 3-methyl-5-phenyl-, hydrochloride
-
- Inchi： 1S/C10H10N2.ClH/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;/h2-7H,1H3,(H,11,12);1H
- InChI Key： GYAMCVBKYUNOTD-UHFFFAOYSA-N
- SMILES： Cl.N1C(C)=CC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 194.06123
- Monoisotopic Mass: 194.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 141
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
5-methyl-3-phenyl-1H-pyrazole hydrochloride (1:1) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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