Name: Name:5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AEMF
Rating: 90 (10 reviews)

5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1803610-41-4

Catalog Number:

AG01AEMF

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG01AEMF

Chemical Name:

5-amino-1-benzyl-3-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1803610-41-4

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD28397305

IUPAC Name:

5-amino-1-benzyl-3-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H13N3O2/c1-8-10(12(16)17)11(13)15(14-8)7-9-5-3-2-4-6-9/h2-6H,7,13H2,1H3,(H,16,17)

InChI Key:

FHFRBUYYBLGCFE-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(C)nn(c1N)Cc1ccccc1

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: