Name: Name:4-{[2-(1H-pyrazol-1-yl)ethyl]amino}benzoic acid
Brand: Angene
SKU: AG01C05G
Rating: 90 (10 reviews)

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

CAS No.:

1281740-38-2

Catalog Number:

AG01C05G

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG01C05G

Chemical Name:

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

CAS Number:

1281740-38-2

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD17041654

IUPAC Name:

4-(2-pyrazol-1-ylethylamino)benzoic acid

InChI:

InChI=1S/C12H13N3O2/c16-12(17)10-2-4-11(5-3-10)13-7-9-15-8-1-6-14-15/h1-6,8,13H,7,9H2,(H,16,17)

InChI Key:

XLKXEONXPQCBBY-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)NCCn1cccn1

Complexity:

252

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:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4