Name: Name:3-[4-formyl-3-(pyridin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Brand: Angene
SKU: AG01BFV2
Rating: 90 (10 reviews)

3-[4-formyl-3-(pyridin-4-yl)-1H-pyrazol-1-yl]propanenitrile

CAS No.:

1803566-62-2

Catalog Number:

AG01BFV2

Molecular Formula:

C12H10N4O

Molecular Weight:

226.2340

Catalog Number:

AG01BFV2

Chemical Name:

3-[4-formyl-3-(pyridin-4-yl)-1H-pyrazol-1-yl]propanenitrile

CAS Number:

1803566-62-2

Molecular Formula:

C12H10N4O

Molecular Weight:

226.2340

MDL Number:

MFCD28118726

IUPAC Name:

3-(4-formyl-3-pyridin-4-ylpyrazol-1-yl)propanenitrile

InChI:

InChI=1S/C12H10N4O/c13-4-1-7-16-8-11(9-17)12(15-16)10-2-5-14-6-3-10/h2-3,5-6,8-9H,1,7H2

InChI Key:

NGCJEZJEZUTABN-UHFFFAOYSA-N

SMILES:

N#CCCn1cc(c(n1)c1ccncc1)C=O

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.239g/mol

Monoisotopic Mass:

226.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1