2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol

C23H28N4O — CID 92764868

IUPAC2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c28-16-11-23-19-25(14-15-26(23)18-20-5-2-1-3-6-20)17-21-7-9-22(10-8-21)27-13-4-12-24-27/h1-10,12-13,23,28H,11,14-19H2/t23-/m1/s1
InChIKeyYSKAMAVCVYBNCF-HSZRJFAPSA-N
MW376.50 g/mol
LogP2.94
Rot. Bonds7

About 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 92764868) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID92764868
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c28-16-11-23-19-25(14-15-26(23)18-20-5-2-1-3-6-20)17-21-7-9-22(10-8-21)27-13-4-12-24-27/h1-10,12-13,23,28H,11,14-19H2/t23-/m1/s1
InChIKeyYSKAMAVCVYBNCF-HSZRJFAPSA-N
XLogP2.94
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51634550
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CID 51635497
2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 30852850
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51636339
2-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56855840
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
(1S,5R)-3-benzyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72881218
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-[1-(3-methylbut-2-enyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol (CID 92764868) is 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is YSKAMAVCVYBNCF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N4O/c28-16-11-23-19-25(14-15-26(23)18-20-5-2-1-3-6-20)17-21-7-9-22(10-8-21)27-13-4-12-24-27/h1-10,12-13,23,28H,11,14-19H2/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 376.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 92764868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).