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2-(4-{2-fluoro-5-[3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]phenyl}pyrazol-1-yl)ethanol

2-(4-{2-fluoro-5-[3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]phenyl}pyrazol-1-yl)ethanol

CAS: 879487-87-3

Formula: C20H18FN5O

SMILES: CC1=NC(=CC=C1)C1=NNC=C1C1=CC(C2=CN(CCO)N=C2)=C(F)C=C1

IUPAC: 2-(4-{2-fluoro-5-[3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]phenyl}-1H-pyrazol-1-yl)ethan-1-ol

InChI: InChI=1S/C20H18FN5O/c1-13-3-2-4-19(24-13)20-17(11-22-25-20)14-5-6-18(21)16(9-14)15-10-23-26(12-15)7-8-27/h2-6,9-12,27H,7-8H2,1H3,(H,22,25)

Composition: C (66.10%), H (4.99%), F (5.23%), N (19.27%), O (4.40%)

Molar Mass: 363.396

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 363.149538383
Formal Charge 0
FSP3 0.15
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey JQGOCCALXFSRHZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.26
Topological Polar Surface Area 79.62
Polarizability 41.57
Ring Count 4
Rotatable Bond Count 5

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