Cas no 112393-66-5 (1-(hydroxymethyl)-1H-Pyrazole-4-carboxylic acid ethyl ester)
112393-66-5 structure
Product Name:1-(hydroxymethyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
CAS No:112393-66-5
MF:C7H10N2O3
MW:170.165901660919
CID:1099272
PubChem ID:13761617
Update Time:2025-04-20
1-(hydroxymethyl)-1H-Pyrazole-4-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-(hydroxymethyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
- ethyl 1-(hydroxymethyl)pyrazole-4-carboxylate
- 112393-66-5
- Ethyl 1-(hydroxymethyl)-1H-pyrazole-4-carboxylate
- SCHEMBL7820903
- DTXSID70548702
-
- Inchi： 1S/C7H10N2O3/c1-2-12-7(11)6-3-8-9(4-6)5-10/h3-4,10H,2,5H2,1H3
- InChI Key： WOHQFQZTNVHJQU-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=NN(CO)C=1)=O
Computed Properties
- Exact Mass: 170.06914219g/mol
- Monoisotopic Mass: 170.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- 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: -0.2
- Topological Polar Surface Area: 64.4?2
1-(hydroxymethyl)-1H-Pyrazole-4-carboxylic acid ethyl ester Related Literature
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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