CAS Registry Number: 6076-12-6

Name:

1H-​Pyrazole-​3-​carboxylic acid, 4-​methyl-​, ethyl ester
Pyrazole-​3(or 5)​-​carboxylic acid, 4-​methyl-​, ethyl ester (7CI); Pyrazole-​3-​carboxylic acid, 4-​methyl-​, ethyl ester (8CI) 

Deleted CAS Registry Numbers: 174198-​28-​8, 856061-​38-​6

Chemical Formula: C7H10N2O2
Exact Mass: 154.07
Molecular Weight: 154.17
m/z: 154.07 (100.0%), 155.08 (7.8%)

InChI: InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)4-8-9-6/h4H,3H2,1-2H3,(H,8,9)
InChIKey: QIBGZMYYGTXSQD-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=NN1)C

Specification

98%

1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
2. (2) Cabildo, Pilar; Organic Magnetic Resonance 1984, V22(9), P603-7 CAPLUS
3. (3) Infantes, Lourdes; Heterocycles 1999, V50(1), P227-242 CAPLUS
4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
5. (5) Bougot, Renee Danion; Tetrahedron 1985, V41(10), P1953-8 CAPLUS
6. (6) Elguero, Jose; Bulletin de la Societe Chimique de France 1966, (2), P619-24 CAPLUS
7. (7) Padwa, Albert; Journal of Organic Chemistry 1990, V55(13), P4144-53 CAPLUS