Cas no 89270-15-5 (1H-Pyrazole-4-carboxylic acid, 3-methyl-5-pentyl-, methyl ester)
89270-15-5 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3-methyl-5-pentyl-, methyl ester
CAS No:89270-15-5
MF:C11H18N2O2
MW:210.272822856903
CID:605884
PubChem ID:71323290
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 3-methyl-5-pentyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 3-methyl-5-pentyl-, methyl ester
- methyl 5-methyl-3-pentyl-1H-pyrazole-4-carboxylate
- 89270-15-5
- DTXSID40752894
-
- Inchi： 1S/C11H18N2O2/c1-4-5-6-7-9-10(11(14)15-3)8(2)12-13-9/h4-7H2,1-3H3,(H,12,13)
- InChI Key： APJAXTIQTJTCDL-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C)NN=C1CCCCC)=O
Computed Properties
- Exact Mass: 210.136827821g/mol
- Monoisotopic Mass: 210.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 209
- 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: 55?2
1H-Pyrazole-4-carboxylic acid, 3-methyl-5-pentyl-, methyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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