CAS Registry Number: 39806-89-8

Name:

1H-​Pyrazole, 4-​ethynyl-​1-​methyl-
4-​(N-​Methylpyrazolyl)​acetylene; 4-​Ethynyl-​1-​methyl-​1H-​pyrazole; 4-​Ethynyl-​1-​methylpyrazole 

Chemical Formula: C6H6N2
Exact Mass: 106.05
Molecular Weight: 106.13
m/z: 106.05 (100.0%), 107.06 (6.6%)
Elemental Analysis: C, 67.90; H, 5.70; N, 26.40

InChI: InChI=1S/C6H6N2/c1-3-6-4-7-8(2)5-6/h1,4-5H,2H3
InChIKey: RACKOVAPLUVOJA-UHFFFAOYSA-N
Canonical SMILES : CN1C=C(C=N1)C#C

Specification

98%

1. (1) Flynn, Bernard L.; Journal of Medicinal Chemistry 2011, V54(17), P6014-6027 CAPLUS