Name: Name:5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
Brand: Angene
SKU: AG01EWJ3
Rating: 90 (10 reviews)

5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

CAS No.:

58113-07-8

Catalog Number:

AG01EWJ3

Molecular Formula:

C13H13N5O2

Molecular Weight:

271.2746

Catalog Number:

AG01EWJ3

Chemical Name:

5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester

CAS Number:

58113-07-8

Molecular Formula:

C13H13N5O2

Molecular Weight:

271.2746

MDL Number:

MFCD01184157

IUPAC Name:

ethyl 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carboxylate

InChI:

InChI=1S/C13H13N5O2/c1-2-20-12(19)8-7-15-18(11(8)14)13-16-9-5-3-4-6-10(9)17-13/h3-7H,2,14H2,1H3,(H,16,17)

InChI Key:

PNXCBMYVHBEZGP-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1N)c1nc2c([nH]1)cccc2

Complexity:

367

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.28g/mol

Monoisotopic Mass:

271.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2