Name: Name:1H-Pyrazole-5-carboxylic acid, 4-formyl-1,3-dimethyl-, ethyl ester
Brand: Angene
SKU: AG001WN2
Rating: 90 (10 reviews)

1H-Pyrazole-5-carboxylic acid, 4-formyl-1,3-dimethyl-, ethyl ester

CAS No.:

166313-50-4

Catalog Number:

AG001WN2

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

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Product Description

Catalog Number:

AG001WN2

Chemical Name:

1H-Pyrazole-5-carboxylic acid, 4-formyl-1,3-dimethyl-, ethyl ester

CAS Number:

166313-50-4

Molecular Formula:

C9H12N2O3

Molecular Weight:

196.2032

MDL Number:

MFCD24675157

IUPAC Name:

ethyl 4-formyl-2,5-dimethylpyrazole-3-carboxylate

InChI:

InChI=1S/C9H12N2O3/c1-4-14-9(13)8-7(5-12)6(2)10-11(8)3/h5H,4H2,1-3H3

InChI Key:

WQMZIRBECAVHHJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1n(C)nc(c1C=O)C

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.206g/mol

Monoisotopic Mass:

196.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.	Acta crystallographica. Section E, Structure reports online 20111101