Name: Name:1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(phenylmethyl)-
Brand: Angene
SKU: AG002T8C
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(phenylmethyl)-

CAS No.:

2644-94-2

Catalog Number:

AG002T8C

Molecular Formula:

C13H14N2O

Molecular Weight:

214.2631

Catalog Number:

AG002T8C

Chemical Name:

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(phenylmethyl)-

CAS Number:

2644-94-2

Molecular Formula:

C13H14N2O

Molecular Weight:

214.2631

MDL Number:

MFCD03988527

IUPAC Name:

1-benzyl-3,5-dimethylpyrazole-4-carbaldehyde

InChI:

InChI=1S/C13H14N2O/c1-10-13(9-16)11(2)15(14-10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3

InChI Key:

KQZFABYWVRTOFK-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)nn(c1C)Cc1ccccc1

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.268g/mol

Monoisotopic Mass:

214.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1