2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol

C19H28N4O — CID 111382447

IUPAC2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H28N4O/c1-15-19(16(2)23(21-15)11-12-24)13-20-17-7-6-10-22(14-17)18-8-4-3-5-9-18/h3-5,8-9,17,20,24H,6-7,10-14H2,1-2H3
InChIKeyGVIJTCUSNANOPP-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.25
Rot. Bonds6

About 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 111382447) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID111382447
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H28N4O/c1-15-19(16(2)23(21-15)11-12-24)13-20-17-7-6-10-22(14-17)18-8-4-3-5-9-18/h3-5,8-9,17,20,24H,6-7,10-14H2,1-2H3
InChIKeyGVIJTCUSNANOPP-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 111469527
2-[4-[[[3-(dimethylamino)cyclohexyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 111778125
2-[4-[[[1-(cyclopentylmethyl)piperidin-4-yl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110909251
2-[3,5-dimethyl-4-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110913013
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
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
2-[3,5-dimethyl-4-[(4-phenylazepan-1-yl)methyl]pyrazol-1-yl]ethanol
CID 77090345
2-[3,5-dimethyl-4-[[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 97199193
1-(2-fluorophenyl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 111119242
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 95582557
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol (CID 111382447) is 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC1CCCN(c2ccccc2)C1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is GVIJTCUSNANOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-19(16(2)23(21-15)11-12-24)13-20-17-7-6-10-22(14-17)18-8-4-3-5-9-18/h3-5,8-9,17,20,24H,6-7,10-14H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 328.46 g/mol, XLogP of 2.25, 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-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 111382447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).