3-fluoro-4-{2'-methyl-[3,3'-bipyrazol]-1-yl}aniline

3-fluoro-4-{2'-methyl-[3,3'-bipyrazol]-1-yl}aniline

CAS: 2101197-61-7

Formula: C13H12FN5

SMILES: CN1N=CC=C1C1=NN(C=C1)C1=CC=C(N)C=C1F

IUPAC: 3-fluoro-4-{2'-methyl-1H,2'H-[3,3'-bipyrazol]-1-yl}aniline

InChI: InChI=1S/C13H12FN5/c1-18-13(4-6-16-18)11-5-7-19(17-11)12-3-2-9(15)8-10(12)14/h2-8H,15H2,1H3

Composition: C (60.69%), H (4.70%), F (7.38%), N (27.22%)

Molar Mass: 257.272

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	257.107673569
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FWZYCCAMZPGYNO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.88
Topological Polar Surface Area	61.66
Polarizability	27.71
Ring Count	3
Rotatable Bond Count	2

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