1-cyclopropanecarbonyl-3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]pyrazole

1-cyclopropanecarbonyl-3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]pyrazole

CAS: 477709-65-2

Formula: C21H19FN2O2

SMILES: CC(OC1=CC(F)=C(C=C1)C1=CC=CC=C1)C1=NN(C=C1)C(=O)C1CC1

IUPAC: 1-cyclopropanecarbonyl-3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]-1H-pyrazole

InChI: InChI=1/C21H19FN2O2/c1-14(20-11-12-24(23-20)21(25)16-7-8-16)26-17-9-10-18(19(22)13-17)15-5-3-2-4-6-15/h2-6,9-14,16H,7-8H2,1H3

Composition: C (71.99%), H (5.47%), F (5.42%), N (8.00%), O (9.13%)

Molar Mass: 350.393

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	350.143056023
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QHYYLLJHWUNUQT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.81
Topological Polar Surface Area	44.12
Polarizability	38.37
Ring Count	4
Rotatable Bond Count	5

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