4-{1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzoyl]azetidin-3-yl}benzonitrile

4-{1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzoyl]azetidin-3-yl}benzonitrile

CAS: 2097262-60-5

Formula: C24H24N4O

SMILES: CC1=C(C)C(=NN1)C1=CC(C(=O)N2CC(C2)C2=CC=C(C=C2)C#N)=C(C)C=C1C

IUPAC: 4-{1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzoyl]azetidin-3-yl}benzonitrile

InChI: InChI=1S/C24H24N4O/c1-14-9-15(2)22(10-21(14)23-16(3)17(4)26-27-23)24(29)28-12-20(13-28)19-7-5-18(11-25)6-8-19/h5-10,20H,12-13H2,1-4H3,(H,26,27)

Composition: C (74.97%), H (6.29%), N (14.57%), O (4.16%)

Molar Mass: 384.483

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	384.195011409
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ICDQFUFDAFKCAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.78
Topological Polar Surface Area	72.78
Polarizability	44.21
Ring Count	4
Rotatable Bond Count	3

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