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4-[(3-bromo-4,5-dimethoxyphenyl)(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl]-5-methyl-4H-pyrazol-3-ol

4-[(3-bromo-4,5-dimethoxyphenyl)(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl]-5-methyl-4H-pyrazol-3-ol

Formula: C17H19BrN4O4

SMILES: COC1=CC(=CC(Br)=C1OC)C(C1C(C)=NN=C1O)C1C(C)=NN=C1O

IUPAC: 4-[(3-bromo-4,5-dimethoxyphenyl)(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl]-5-methyl-4H-pyrazol-3-ol

InChI: InChI=1/C17H19BrN4O4/c1-7-12(16(23)21-19-7)14(13-8(2)20-22-17(13)24)9-5-10(18)15(26-4)11(6-9)25-3/h5-6,12-14H,1-4H3,(H,21,23)(H,22,24)

Composition: C (48.24%), H (4.52%), Br (18.88%), N (13.24%), O (15.12%)

Molar Mass: 423.267

Atom Count: 45

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 422.058968
Formal Charge 0
FSP3 0.41
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey QMTRLIQILOWJCQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.62
Topological Polar Surface Area 108.36
Polarizability 37.25
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H19BrN4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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