Name: Name:ethyl 1-benzyl-5-hydroxy-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG01B7II
Rating: 90 (10 reviews)

ethyl 1-benzyl-5-hydroxy-1H-pyrazole-4-carboxylate

CAS No.:

651755-15-6

Catalog Number:

AG01B7II

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

Catalog Number:

AG01B7II

Chemical Name:

ethyl 1-benzyl-5-hydroxy-1H-pyrazole-4-carboxylate

CAS Number:

651755-15-6

Molecular Formula:

C13H14N2O3

Molecular Weight:

246.2619

MDL Number:

MFCD25289925

IUPAC Name:

ethyl 2-benzyl-3-oxo-1H-pyrazole-4-carboxylate

InChI:

InChI=1S/C13H14N2O3/c1-2-18-13(17)11-8-14-15(12(11)16)9-10-6-4-3-5-7-10/h3-8,14H,2,9H2,1H3

InChI Key:

KDBJJPVHBRLKKR-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1O)Cc1ccccc1

NSC Number:

603621

Complexity:

359

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.266g/mol

Monoisotopic Mass:

246.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8