5-(2-hydroxyphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide

5-(2-hydroxyphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide

Formula: C20H20N4O3S

SMILES: CNC(=O)C1=C(NC(=O)C2=NNC(=C2)C2=CC=CC=C2O)SC2=C1CCCC2

IUPAC: 5-(2-hydroxyphenyl)-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxamide

InChI: InChI=1S/C20H20N4O3S/c1-21-19(27)17-12-7-3-5-9-16(12)28-20(17)22-18(26)14-10-13(23-24-14)11-6-2-4-8-15(11)25/h2,4,6,8,10,25H,3,5,7,9H2,1H3,(H,21,27)(H,22,26)(H,23,24)

Composition: C (60.59%), H (5.08%), N (14.13%), O (12.11%), S (8.09%)

Molar Mass: 396.47

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	396.125611694
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	BARSUKUQWANCAS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.56
Topological Polar Surface Area	107.11
Polarizability	41.14
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00