2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol

C19H28N4O — CID 95582557

IUPAC2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC[C@H]1CCN(C)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-14-18(15(2)23(21-14)10-11-24)13-20-12-16-8-9-22(3)19-7-5-4-6-17(16)19/h4-7,16,20,24H,8-13H2,1-3H3/t16-/m1/s1
InChIKeyJMWNBFYGDYGLFJ-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.21
Rot. Bonds6

About 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 95582557) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID95582557
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC[C@H]1CCN(C)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-14-18(15(2)23(21-14)10-11-24)13-20-12-16-8-9-22(3)19-7-5-4-6-17(16)19/h4-7,16,20,24H,8-13H2,1-3H3/t16-/m1/s1
InChIKeyJMWNBFYGDYGLFJ-MRXNPFEDSA-N
XLogP2.21
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

N,N,1,3-tetramethyl-4-[[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methylamino]methyl]pyrazol-5-amine
CID 51105200
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 95582527
2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 97199193
2-[3,5-dimethyl-4-[[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95733883
1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 111119242
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062
2-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905596
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525
2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615834
1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136718045
2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 111382447

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol (CID 95582557) is 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC[C@H]1CCN(C)c2ccccc21.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is JMWNBFYGDYGLFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-18(15(2)23(21-14)10-11-24)13-20-12-16-8-9-22(3)19-7-5-4-6-17(16)19/h4-7,16,20,24H,8-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 328.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 95582557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).