CAS Registry Number: 33064-36-7

Name:

1H-​Pyrazole-​3-​carboxamide
Pyrazole-​3-​carboxamide (8CI); 1H-​Pyrazole-​5-​carboxamide 

Chemical Formula: C4H5N3O
Exact Mass: 111.04
Molecular Weight: 111.10
m/z: 111.04 (100.0%), 112.05 (4.4%), 112.04 (1.1%)
Elemental Analysis: C, 43.24; H, 4.54; N, 37.82; O, 14.40

InChI: InChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKey: BNYCHCAYYYRJSH-UHFFFAOYSA-N
Canonical SMILES : C1=C(NN=C1)C(=O)N

Specification

98%

1. (1) Skinner, Philip J.; Bioorganic & Medicinal Chemistry Letters 2007, V17(20), P5620-5623 CAPLUS
2. (2) FR 1468725 1967 CAPLUS
3. (3) Musante, Carlo; Gazzetta Chimica Italiana 1947, V77, P199-206 CAPLUS
4. (4) Jones, Reuben G.; US 2655506 1953 CAPLUS