Name: Name:1H-Pyrazole-3-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
Brand: Angene
SKU: AG000SR1
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester

CAS No.:

1264046-99-2

Catalog Number:

AG000SR1

Molecular Formula:

C12H12FN3O2

Molecular Weight:

249.2410

Catalog Number:

AG000SR1

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester

CAS Number:

1264046-99-2

Molecular Formula:

C12H12FN3O2

Molecular Weight:

249.2410

MDL Number:

MFCD07388410

IUPAC Name:

ethyl 5-amino-1-(4-fluorophenyl)pyrazole-3-carboxylate

InChI:

InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-11(14)16(15-10)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3

InChI Key:

MILOBAIYUXUZQJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c(c1)N)c1ccc(cc1)F

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.245g/mol

Monoisotopic Mass:

249.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2