Name: Name:ethyl 5-amino-1-(4-chlorobenzyl)-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG00J5X8
Rating: 90 (10 reviews)

ethyl 5-amino-1-(4-chlorobenzyl)-1H-pyrazole-4-carboxylate

CAS No.:

137278-71-8

Catalog Number:

AG00J5X8

Molecular Formula:

C13H14ClN3O2

Molecular Weight:

279.7222

Catalog Number:

AG00J5X8

Chemical Name:

ethyl 5-amino-1-(4-chlorobenzyl)-1H-pyrazole-4-carboxylate

CAS Number:

137278-71-8

Molecular Formula:

C13H14ClN3O2

Molecular Weight:

279.7222

MDL Number:

MFCD00750790

IUPAC Name:

ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate

InChI:

InChI=1S/C13H14ClN3O2/c1-2-19-13(18)11-7-16-17(12(11)15)8-9-3-5-10(14)6-4-9/h3-7H,2,8,15H2,1H3

InChI Key:

XLJYQNIGQHYSHA-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1N)Cc1ccc(cc1)Cl

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.724g/mol

Monoisotopic Mass:

279.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9