Name: Name:1H-Pyrazole-5-carboxylic acid, 3-(4-methoxyphenyl)-1-methyl-
Brand: Angene
SKU: AG00IHPD
Rating: 90 (10 reviews)

1H-Pyrazole-5-carboxylic acid, 3-(4-methoxyphenyl)-1-methyl-

CAS No.:

93618-34-9

Catalog Number:

AG00IHPD

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

Catalog Number:

AG00IHPD

Chemical Name:

1H-Pyrazole-5-carboxylic acid, 3-(4-methoxyphenyl)-1-methyl-

CAS Number:

93618-34-9

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

IUPAC Name:

5-(4-methoxyphenyl)-2-methylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H12N2O3/c1-14-11(12(15)16)7-10(13-14)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,15,16)

InChI Key:

SJOBKJSBBATDEB-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nn(c(c1)C(=O)O)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.239g/mol

Monoisotopic Mass:

232.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7