Name: Name:4-[4-(hydroxymethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile
Brand: Angene
SKU: AG01A5HB
Rating: 90 (10 reviews)

4-[4-(hydroxymethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile

CAS No.:

1443981-26-7

Catalog Number:

AG01A5HB

Molecular Formula:

C12H11N3O

Molecular Weight:

213.2352

Catalog Number:

AG01A5HB

Chemical Name:

4-[4-(hydroxymethyl)-1-methyl-1H-pyrazol-3-yl]benzonitrile

CAS Number:

1443981-26-7

Molecular Formula:

C12H11N3O

Molecular Weight:

213.2352

MDL Number:

MFCD24842903

IUPAC Name:

4-[4-(hydroxymethyl)-1-methylpyrazol-3-yl]benzonitrile

InChI:

InChI=1S/C12H11N3O/c1-15-7-11(8-16)12(14-15)10-4-2-9(6-13)3-5-10/h2-5,7,16H,8H2,1H3

InChI Key:

HTFIXRFWCOYRJM-UHFFFAOYSA-N

SMILES:

OCc1cn(nc1c1ccc(cc1)C#N)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.24g/mol

Monoisotopic Mass:

213.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7