2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol

C23H36N4O2 — CID 45228900

IUPAC2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cc(CC(C)C)n[nH]3)CC2CCO)cc1C
InChIInChI=1S/C23H36N4O2/c1-17(2)11-20-13-21(25-24-20)15-26-8-9-27(22(16-26)7-10-28)14-19-5-6-23(29-4)18(3)12-19/h5-6,12-13,17,22,28H,7-11,14-16H2,1-4H3,(H,24,25)
InChIKeyRAYCSIYHBFXWGA-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.99
Rot. Bonds9

About 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol

2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 45228900) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol
PubChem CID45228900
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3cc(CC(C)C)n[nH]3)CC2CCO)cc1C
InChIInChI=1S/C23H36N4O2/c1-17(2)11-20-13-21(25-24-20)15-26-8-9-27(22(16-26)7-10-28)14-19-5-6-23(29-4)18(3)12-19/h5-6,12-13,17,22,28H,7-11,14-16H2,1-4H3,(H,24,25)
InChIKeyRAYCSIYHBFXWGA-UHFFFAOYSA-N
XLogP2.99
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28954845
2-[4-[(3,4-difluorophenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45188212
2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 51906736
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51634550
2-[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 95874444
2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29258024
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 98583956
2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28882367
N-[4-[[3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 45206750
N-[4-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 29258231
2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
CID 98575466
2-[(2S)-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28697227

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol (CID 45228900) is 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3cc(CC(C)C)n[nH]3)CC2CCO)cc1C.
What is the InChIKey of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is RAYCSIYHBFXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17(2)11-20-13-21(25-24-20)15-26-8-9-27(22(16-26)7-10-28)14-19-5-6-23(29-4)18(3)12-19/h5-6,12-13,17,22,28H,7-11,14-16H2,1-4H3,(H,24,25).
What are the key properties of 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol?
2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 400.57 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-3-methylphenyl)methyl]-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45228900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).