Name: Name:5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01BIY0
Rating: 90 (10 reviews)

5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:

1175962-10-3

Catalog Number:

AG01BIY0

Molecular Formula:

C13H14N2O4

Molecular Weight:

262.2613

Catalog Number:

AG01BIY0

Chemical Name:

5-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid

CAS Number:

1175962-10-3

Molecular Formula:

C13H14N2O4

Molecular Weight:

262.2613

MDL Number:

MFCD09901139

IUPAC Name:

5-(3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H14N2O4/c1-15-10(7-9(14-15)13(16)17)8-4-5-11(18-2)12(6-8)19-3/h4-7H,1-3H3,(H,16,17)

InChI Key:

HUOZKQRMQCFGPJ-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)c1cc(nn1C)C(=O)O

Complexity:

326

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.265g/mol

Monoisotopic Mass:

262.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7