4-({4-[(4-bromophenyl)methoxy]phenyl}(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl)-5-methyl-4H-pyrazol-3-ol

4-({4-[(4-bromophenyl)methoxy]phenyl}(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl)-5-methyl-4H-pyrazol-3-ol

Formula: C22H21BrN4O3

SMILES: CC1=NN=C(O)C1C(C1C(C)=NN=C1O)C1=CC=C(OCC2=CC=C(Br)C=C2)C=C1

IUPAC: 4-({4-[(4-bromophenyl)methoxy]phenyl}(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl)-5-methyl-4H-pyrazol-3-ol

InChI: InChI=1/C22H21BrN4O3/c1-12-18(21(28)26-24-12)20(19-13(2)25-27-22(19)29)15-5-9-17(10-6-15)30-11-14-3-7-16(23)8-4-14/h3-10,18-20H,11H2,1-2H3,(H,26,28)(H,27,29)

Composition: C (56.30%), H (4.51%), Br (17.02%), N (11.94%), O (10.23%)

Molar Mass: 469.339

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	468.079704
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	TVSODFROPUKCFX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.77
Topological Polar Surface Area	99.13
Polarizability	44.14
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21BrN4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00