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CAS Number: 78208-72-7
ethyl 5-isopropyl-1H-pyrazole-3-carboxylate

Structure

ethyl 5-isopropyl-1H-pyrazole-3-carboxylate
Name: ethyl 5-isopropyl-1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 78208727
CAS Registry Number: 78208-72-7
Name:
1H-​Pyrazole-​3-​carboxylic acid, 5-​(1-​methylethyl)​-​, ethyl ester
5-​Isopropyl-​1H-​pyrazole-​3-​carboxylic acid ethyl ester; Ethyl 5-​isopropyl-​1H-​pyrazole-​3-​carboxylate 
Deleted CAS Registry Numbers: 133261-​03-​7, 888738-​91-​8
 
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/c1-4-13-9(12)8-5-7(6(2)3)10-11-8/h5-6H,4H2,1-3H3,(H,10,11)
InChIKey: ILTUMWMASHHTOQ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NNC(=C1)C(C)C
 
Thermal Properties Value Condition Note
Melting Point 61-63 °C   (2)CAS

Specification

98%

References
  1. (1) Harju, Kirsi; Organic Letters 2009, V11(10), P2219-2221 CAPLUS
  2. (2) Dang, Tung T.; Tetrahedron 2008, V64(9), P2207-2215 CAPLUS
  3. (3) De Ninno, Michael P.; Bioorganic & Medicinal Chemistry Letters 2009, V19(9), P2537-2541 CAPLUS
  4. (4) van Herk, T.; Journal of Medicinal Chemistry 2003, V46(18), P3945-3951 CAPLUS
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