Cas no 360045-03-0 (1H-Pyrazole, 1-(3,5-dimethylphenyl)-)
360045-03-0 structure
Product Name:1H-Pyrazole, 1-(3,5-dimethylphenyl)-
CAS No:360045-03-0
MF:C11H12N2
MW:172.226382255554
CID:4460048
PubChem ID:21940717
Update Time:2025-04-24
1H-Pyrazole, 1-(3,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(3,5-dimethylphenyl)-
- SCHEMBL873113
- 1-(3,5-Dimethylphenyl)-1H-pyrazole
- HS-5183
- 360045-03-0
-
- Inchi： 1S/C11H12N2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12-13/h3-8H,1-2H3
- InChI Key： JTZKQLLEXLUULJ-UHFFFAOYSA-N
- SMILES： N1(C=CC=N1)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 172.100048391g/mol
- Monoisotopic Mass: 172.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 2.9
- Topological Polar Surface Area: 17.8?2
1H-Pyrazole, 1-(3,5-dimethylphenyl)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
360045-03-0 (1H-Pyrazole, 1-(3,5-dimethylphenyl)-) Related Products
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