Cas no 107073-69-8 (1H-PYRAZOLE, 1-METHYL-3-(PHENYLMETHYL)-)
107073-69-8 structure
Product Name:1H-PYRAZOLE, 1-METHYL-3-(PHENYLMETHYL)-
CAS No:107073-69-8
MF:C11H12N2
MW:172.226382255554
CID:3231446
PubChem ID:13626669
Update Time:2025-04-21
1H-PYRAZOLE, 1-METHYL-3-(PHENYLMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE, 1-METHYL-3-(PHENYLMETHYL)-
- 107073-69-8
- SCHEMBL15885877
- DB-090182
-
- Inchi： 1S/C11H12N2/c1-13-8-7-11(12-13)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
- InChI Key： RDAIPNIBITVQCR-UHFFFAOYSA-N
- SMILES： N1(C)C=CC(CC2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 172.100048391Da
- Monoisotopic Mass: 172.100048391Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 152
- 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: 17.8?2
1H-PYRAZOLE, 1-METHYL-3-(PHENYLMETHYL)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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