Name: Name:4-[4-(1-aminoethyl)-5-methyl-1H-pyrazol-1-yl]benzonitrile
Brand: Angene
SKU: AG019TK1
Rating: 90 (10 reviews)

4-[4-(1-aminoethyl)-5-methyl-1H-pyrazol-1-yl]benzonitrile

CAS No.:

1152932-61-0

Catalog Number:

AG019TK1

Molecular Formula:

C13H14N4

Molecular Weight:

226.2771

Catalog Number:

AG019TK1

Chemical Name:

4-[4-(1-aminoethyl)-5-methyl-1H-pyrazol-1-yl]benzonitrile

CAS Number:

1152932-61-0

Molecular Formula:

C13H14N4

Molecular Weight:

226.2771

MDL Number:

MFCD11621796

IUPAC Name:

4-[4-(1-aminoethyl)-5-methylpyrazol-1-yl]benzonitrile

InChI:

InChI=1S/C13H14N4/c1-9(15)13-8-16-17(10(13)2)12-5-3-11(7-14)4-6-12/h3-6,8-9H,15H2,1-2H3

InChI Key:

VBPOLTCBZHSYAU-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1ncc(c1C)C(N)C

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.283g/mol

Monoisotopic Mass:

226.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3