Cas no 62625-77-8 (1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, ethyl ester)
62625-77-8 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, ethyl ester
CAS No:62625-77-8
MF:C14H16N2O2
MW:244.289043426514
CID:437518
PubChem ID:12334919
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, ethyl ester
- ethyl 3-benzyl-5-methyl-1H-pyrazole-4-carboxylate
- DTXSID40491155
- 62625-77-8
-
- Inchi： 1S/C14H16N2O2/c1-3-18-14(17)13-10(2)15-16-12(13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,16)
- InChI Key： IGMHUZCNWKQQBQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C)NN=C1CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 244.12128
- Monoisotopic Mass: 244.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 277
- 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: 2.8
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 54.98
1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, ethyl ester Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
62625-77-8 (1H-Pyrazole-4-carboxylic acid, 3-methyl-5-(phenylmethyl)-, ethyl ester) Related Products
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