Name: Name:1H-Pyrazole-4-carboxylicacid, 5-amino-1-[3-(trifluoromethyl)phenyl]-, ethyl ester
Brand: Angene
SKU: AG007C2T
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylicacid, 5-amino-1-[3-(trifluoromethyl)phenyl]-, ethyl ester

CAS No.:

110821-29-9

Catalog Number:

AG007C2T

Molecular Formula:

C13H14FN3O2

Molecular Weight:

263.2676

Catalog Number:

AG007C2T

Chemical Name:

1H-Pyrazole-4-carboxylicacid, 5-amino-1-[3-(trifluoromethyl)phenyl]-, ethyl ester

CAS Number:

110821-29-9

Molecular Formula:

C13H14FN3O2

Molecular Weight:

263.2676

MDL Number:

MFCD07388524

IUPAC Name:

ethyl 5-amino-1-[3-(fluoromethyl)phenyl]pyrazole-4-carboxylate

InChI:

InChI=1S/C13H14FN3O2/c1-2-19-13(18)11-8-16-17(12(11)15)10-5-3-4-9(6-10)7-14/h3-6,8H,2,7,15H2,1H3

InChI Key:

BCENAVHNYSEFOR-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1N)c1cccc(c1)CF

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.272g/mol

Monoisotopic Mass:

263.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5