Name: Name:2-hydroxy-4-{[(1-methyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid
Brand: Angene
SKU: AG01BCM1
Rating: 90 (10 reviews)

2-hydroxy-4-{[(1-methyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid

CAS No.:

1006963-39-8

Catalog Number:

AG01BCM1

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

Catalog Number:

AG01BCM1

Chemical Name:

2-hydroxy-4-{[(1-methyl-1H-pyrazol-5-yl)methyl]amino}benzoic acid

CAS Number:

1006963-39-8

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

MDL Number:

MFCD08696993

IUPAC Name:

2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid

InChI:

InChI=1S/C12H13N3O3/c1-15-9(4-5-14-15)7-13-8-2-3-10(12(17)18)11(16)6-8/h2-6,13,16H,7H2,1H3,(H,17,18)

InChI Key:

RIPLJOOCQIZMET-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1O)NCc1ccnn1C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.254g/mol

Monoisotopic Mass:

247.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5