6-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-{2-[(2-chlorophenyl)methoxy]phenyl}-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C21H17ClN4O2

SMILES: CC1=C2C(C3=CC=CC=C3OCC3=CC=CC=C3Cl)C(C#N)=C(N)OC2=NN1

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

InChI: InChI=1/C21H17ClN4O2/c1-12-18-19(15(10-23)20(24)28-21(18)26-25-12)14-7-3-5-9-17(14)27-11-13-6-2-4-8-16(13)22/h2-9,19H,11,24H2,1H3,(H,25,26)

Composition: C (64.21%), H (4.36%), Cl (9.02%), N (14.26%), O (8.15%)

Molar Mass: 392.84

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	392.1040035
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QAOCHRFQAWHUKJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.11
Topological Polar Surface Area	96.95
Polarizability	40.53
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17ClN4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00