5-Isobutyl-1-phenyl-1H-pyrazole

CAS	3191-86-4
Structure
Synonyms	Pentyl vinyl carbinol
IUPAC Name	5-(2-Methylpropyl)-1-phenylpyrazole
Molecular Weight	200.28
Canonical SMILES	CC(C)CC1=CC=NN1C2=CC=CC=C2
InChI	InChI=1S/C13H16N2/c1-11(2)10-13-8-9-14-15(13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChI Key	HROKYPLYBSHRSM-UHFFFAOYSA-N
Boiling Point	84-85 °C
Flash Point	142 °F
Purity	95%
Density	0.83 g/mL at 25 °C(lit.)
Exact Mass	200.131348519
Monoisotopic Mass	200.131348519
Physical State	Liquid
Refractive Index	n20/D 1.437(lit.)
Topological Polar Surface Area	17.8 Ų