Name: Name:methyl 1-(4-cyanophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG019Y7M
Rating: 90 (10 reviews)

methyl 1-(4-cyanophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate

CAS No.:

1221725-90-1

Catalog Number:

AG019Y7M

Molecular Formula:

C14H13N3O4

Molecular Weight:

287.2707

Catalog Number:

AG019Y7M

Chemical Name:

methyl 1-(4-cyanophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate

CAS Number:

1221725-90-1

Molecular Formula:

C14H13N3O4

Molecular Weight:

287.2707

MDL Number:

MFCD14705687

IUPAC Name:

methyl 2-(4-cyanophenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylate

InChI:

InChI=1S/C14H13N3O4/c1-21-14(20)12-11(6-7-18)13(19)17(16-12)10-4-2-9(8-15)3-5-10/h2-5,16,18H,6-7H2,1H3

InChI Key:

MNEWXBJZNVNHCM-UHFFFAOYSA-N

SMILES:

OCCc1c([nH]n(c1=O)c1ccc(cc1)C#N)C(=O)OC

Complexity:

512

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.275g/mol

Monoisotopic Mass:

287.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8