Name: Name:3-[(1-methyl-1H-pyrazol-4-yl)amino]benzoic acid
Brand: Angene
SKU: AG019QB8
Rating: 90 (10 reviews)

3-[(1-methyl-1H-pyrazol-4-yl)amino]benzoic acid

CAS No.:

1354962-77-8

Catalog Number:

AG019QB8

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

Catalog Number:

AG019QB8

Chemical Name:

3-[(1-methyl-1H-pyrazol-4-yl)amino]benzoic acid

CAS Number:

1354962-77-8

Molecular Formula:

C11H11N3O2

Molecular Weight:

217.2239

MDL Number:

MFCD20501923

IUPAC Name:

3-[(1-methylpyrazol-4-yl)amino]benzoic acid

InChI:

InChI=1S/C11H11N3O2/c1-14-7-10(6-12-14)13-9-4-2-3-8(5-9)11(15)16/h2-7,13H,1H3,(H,15,16)

InChI Key:

PHRNVQSPHLGFID-UHFFFAOYSA-N

SMILES:

Cn1ncc(c1)Nc1cccc(c1)C(=O)O

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.228g/mol

Monoisotopic Mass:

217.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3