Cas no 1007504-06-4 (ETHYL 1-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE)
1007504-06-4 structure
Product Name:ETHYL 1-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE
CAS No:1007504-06-4
MF:C9H14N2O2
MW:182.219662189484
CID:3431145
Update Time:2025-04-21
ETHYL 1-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE Chemical and Physical Properties
Names and Identifiers
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- ETHYL 1-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE
- 1H-Pyrazole-3-carboxylic acid, 1-propyl-, ethyl ester
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- Inchi： 1S/C9H14N2O2/c1-3-6-11-7-5-8(10-11)9(12)13-4-2/h5,7H,3-4,6H2,1-2H3
- InChI Key： ZAOGAUGHOLRAKQ-UHFFFAOYSA-N
- SMILES： N1(CCC)C=CC(C(OCC)=O)=N1
Computed Properties
- Exact Mass: 182.106
- Monoisotopic Mass: 182.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 173
- 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
- Topological Polar Surface Area: 44.1A^2
ETHYL 1-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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
1007504-06-4 (ETHYL 1-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE) Related Products
- 5744-59-2(1,5-Dimethyl-1H-pyrazole-3-carboxylic acid)
- 4027-57-0(Ethyl 5-methyl-1H-pyrazole-3-carboxylate)
- 16034-46-1(1-Methyl-1H-pyrazole-5-carboxylic acid)
- 5744-56-9(1,3-Dimethyl-1H-pyrazole-5-carboxylic acid)
- 402-61-9(AS057278)
- 1621-91-6(1H-pyrazole-5-carboxylic acid)
- 25016-20-0(1-Methyl-1H-pyrazole-3-carboxylic acid)
- 27258-33-9(1-Methyl-1H-pyrazole-5-carbaldehyde)
- 5744-40-1(Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate)
- 5932-27-4(Ethyl pyrazole-3-carboxylate)
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