Cas no 1339638-63-9 (1-(Cyclopentylmethyl)-1H-pyrazole)
1339638-63-9 structure
Product Name:1-(Cyclopentylmethyl)-1H-pyrazole
CAS No:1339638-63-9
MF:C9H14N2
MW:150.220861911774
CID:2133354
Update Time:2023-08-04
1-(Cyclopentylmethyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 1-(cyclopentylmethyl)-1H-Pyrazole
- DYKZICCTAUACMO-UHFFFAOYSA-N
- 1-(cyclopentylmethyl) -1H-pyrazole
- 1-(Cyclopentylmethyl)-1H-pyrazole
-
- Inchi： 1S/C9H14N2/c1-2-5-9(4-1)8-11-7-3-6-10-11/h3,6-7,9H,1-2,4-5,8H2
- InChI Key： DYKZICCTAUACMO-UHFFFAOYSA-N
- SMILES： N1(C=CC=N1)CC1CCCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- Topological Polar Surface Area: 17.8
1-(Cyclopentylmethyl)-1H-pyrazole Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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