Cas no 61485-18-5 (3-propyl-1H-Indazole)
3-propyl-1H-Indazole structure
Product Name:3-propyl-1H-Indazole
CAS No:61485-18-5
MF:C10H12N2
MW:160.215682029724
CID:954581
PubChem ID:12297612
Update Time:2025-04-19
3-propyl-1H-Indazole Chemical and Physical Properties
Names and Identifiers
-
- 3-propyl-1H-Indazole
- 1H-Indazole, 3-propyl-
- SCHEMBL3347649
- 61485-18-5
- 1H-Indazole,3-propyl-
-
- Inchi： 1S/C10H12N2/c1-2-5-9-8-6-3-4-7-10(8)12-11-9/h3-4,6-7H,2,5H2,1H3,(H,11,12)
- InChI Key： UAVBHTJZZHATBB-UHFFFAOYSA-N
- SMILES： N1C(=C2C=CC=CC2=N1)CCC
Computed Properties
- Exact Mass: 160.100048391g/mol
- Monoisotopic Mass: 160.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 2.7
- Topological Polar Surface Area: 28.7?2
3-propyl-1H-Indazole Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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