Name: Name:5-ethyl-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01ACXE
Rating: 90 (10 reviews)

5-ethyl-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1119490-22-0

Catalog Number:

AG01ACXE

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

Catalog Number:

AG01ACXE

Chemical Name:

5-ethyl-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1119490-22-0

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

MDL Number:

MFCD14462876

IUPAC Name:

5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-14-15(12)9-4-6-10(18-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17)

InChI Key:

OMMSPYVIZNGJJK-UHFFFAOYSA-N

SMILES:

CCc1c(cnn1c1ccc(cc1)OC)C(=O)O

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.266g/mol

Monoisotopic Mass:

246.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2