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CAS Number: 92945-27-2
ethyl 5-propyl-1H-pyrazole-3-carboxylate

Structure

ethyl 5-propyl-1H-pyrazole-3-carboxylate
Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 92945272
CAS Registry Number: 92945-27-2
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​propyl-​, ethyl ester
3-​n-​Propylpyrazol-​5-​carboxylic acid ethyl ester; 5-​Propyl-​1H-​pyrazole-​3-​carboxylic acid ethyl ester; Ethyl 3-​propyl-​1H-​5-​pyrazole carboxylate; Ethyl 3-​propylpyrazole-​5-​carboxylate; Ethyl 5-​propyl-​1H-​pyrazole-​3-​carboxylate 
Deleted CAS Registry Numbers: 133261-​02-​6, 139756-​36-​8, 158040-​38-​1, 197079-​27-​9, 272779-​57-​4, 300547-​22-​2, 326922-​49-​0, 329306-​62-​9, 502768-​18-​5, 526203-​27-​0, 550357-​63-​6, 709044-​82-​6, 745812-​92-​4, 916792-​50-​2, 937257-​41-​5, 948553-​43-​3, 1126745-​92-​3, 1185742-​63-​5
 
Chemical Formula: C9H14N2O2
Exact Mass: 182.11
Molecular Weight: 182.22
m/z: 182.11 (100.0%), 183.11 (10.0%)
Elemental Analysis: C, 59.32; H, 7.74; N, 15.37; O, 17.56
 
InChI: InChI=1S/C9H14N2O2/c1-3-5-7-6-8(11-10-7)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey: SUALHSUMUQQLJP-UHFFFAOYSA-N
Canonical SMILES : CCCC1=CC(=NN1)C(=O)OCC
 
Thermal Properties Value Condition Note
Melting Point 67-69 °C   (2)CAS

Specification

98%

References
  1. (1) He, Sheng; Tetrahedron Letters 2009, V50(20), P2443-2445 CAPLUS
  2. (2) Dang, Tung T.; Tetrahedron 2008, V64(9), P2207-2215 CAPLUS
  3. (3) van Herk, T.; Journal of Medicinal Chemistry 2003, V46(18), P3945-3951 CAPLUS
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