3-{5-[bis(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl]furan-2-yl}benzoic acid

3-{5-[bis(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl]furan-2-yl}benzoic acid

Formula: C20H18N4O5

SMILES: CC1=NN=C(O)C1C(C1C(C)=NN=C1O)C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O

IUPAC: 3-{5-[bis(3-hydroxy-5-methyl-4H-pyrazol-4-yl)methyl]furan-2-yl}benzoic acid

InChI: InChI=1/C20H18N4O5/c1-9-15(18(25)23-21-9)17(16-10(2)22-24-19(16)26)14-7-6-13(29-14)11-4-3-5-12(8-11)20(27)28/h3-8,15-17H,1-2H3,(H,23,25)(H,24,26)(H,27,28)

Composition: C (60.91%), H (4.60%), N (14.21%), O (20.28%)

Molar Mass: 394.387

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	394.127719696
Formal Charge	0
FSP3	0.25
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	SQIAAAPEVQYSKS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.81
Topological Polar Surface Area	140.34
Polarizability	39.43
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00