5-ethyl-4-methyl-N-{4-[(2S)-morpholin-2-yl]phenyl}-1H-pyrazole-3-carboxamide

5-ethyl-4-methyl-N-{4-[(2S)-morpholin-2-yl]phenyl}-1H-pyrazole-3-carboxamide

CAS: 2133417-13-5

Formula: C17H22N4O2

SMILES: CCC1=C(C)C(=NN1)C(=O)NC1=CC=C(C=C1)[C@H]1CNCCO1

IUPAC: 5-ethyl-4-methyl-N-{4-[(2S)-morpholin-2-yl]phenyl}-1H-pyrazole-3-carboxamide

InChI: InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1

Composition: C (64.95%), H (7.05%), N (17.82%), O (10.18%)

Molar Mass: 314.389

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	314.174275964
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	XHHXGKRFUPEPFM-OAHLLOKOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.61
Topological Polar Surface Area	79.04
Polarizability	33.98
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	2133417-13-5		$282.06-$3,625.55$282.06$473.16$957.03$1,562.43$2,370.40$3,625.55