6-amino-4-[4-(benzyloxy)phenyl]-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[4-(benzyloxy)phenyl]-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C21H18N4O2

SMILES: CC1=C2C(C3=CC=C(OCC4=CC=CC=C4)C=C3)C(C#N)=C(N)OC2=NN1

IUPAC: 6-amino-4-[4-(benzyloxy)phenyl]-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C21H18N4O2/c1-13-18-19(17(11-22)20(23)27-21(18)25-24-13)15-7-9-16(10-8-15)26-12-14-5-3-2-4-6-14/h2-10,19H,12,23H2,1H3,(H,24,25)

Composition: C (70.38%), H (5.06%), N (15.63%), O (8.93%)

Molar Mass: 358.401

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	358.142975836
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KRMZFCRKDXGONU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.31
Topological Polar Surface Area	96.95
Polarizability	38.64
Ring Count	4
Rotatable Bond Count	4

Suppliers

OTAVA LTD.

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<10 Days	C21H18N4O2		$162.27$162.27

MFCD02105243

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00