Name: Name:1-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]ethan-1-one
Brand: Angene
SKU: AG019YCM
Rating: 90 (10 reviews)

1-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]ethan-1-one

CAS No.:

1157748-17-8

Catalog Number:

AG019YCM

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

Catalog Number:

AG019YCM

Chemical Name:

1-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]ethan-1-one

CAS Number:

1157748-17-8

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD12057775

IUPAC Name:

1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanone

InChI:

InChI=1S/C13H14N2O2/c1-10(16)11-4-5-13(17-2)12(8-11)9-15-7-3-6-14-15/h3-8H,9H2,1-2H3

InChI Key:

HCJKTUBHEGVTAX-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1Cn1cccn1)C(=O)C

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.267g/mol

Monoisotopic Mass:

230.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5