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5-Fluoro-2-(2'-methyl-1H,2'H-3,3'-bipyrazol-1-yl)aniline

5-Fluoro-2-(2'-methyl-1H,2'H-3,3'-bipyrazol-1-yl)aniline - CAS 2101200-71-7

Catalog:	BB051551
Product Name:	5-Fluoro-2-(2'-methyl-1H,2'H-3,3'-bipyrazol-1-yl)aniline
CAS:	2101200-71-7
Synonyms:	Benzenamine, 5-fluoro-2-(1'-methyl[3,5'-bi-1H-pyrazol]-1-yl)-

Technical Data

Computed Properties

IUPAC Name:	5-fluoro-2-[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]aniline
Molecular Weight:	257.27
Molecular Formula:	C13H12FN5
Canonical SMILES:	CN1C(=CC=N1)C2=NN(C=C2)C3=C(C=C(C=C3)F)N
InChI:	InChI=1S/C13H12FN5/c1-18-13(4-6-16-18)11-5-7-19(17-11)12-3-2-9(14)8-10(12)15/h2-8H,15H2,1H3
InChI Key:	RHOKGUDXRQLDCN-UHFFFAOYSA-N
Boiling Point:	452.6±40.0°C (Predicted)
Purity:	≥95%
Density:	1.38±0.1 g/cm3 (Predicted)

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Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.10767357
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.10767357
Rotatable Bond Count:	2
Topological Polar Surface Area:	61.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3