2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol

C24H30N4O — CID 30852850

IUPAC2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CCN1CCc1ccccc1
InChIInChI=1S/C24H30N4O/c29-17-11-24-20-26(15-16-27(24)14-10-21-6-2-1-3-7-21)19-22-8-4-9-23(18-22)28-13-5-12-25-28/h1-9,12-13,18,24,29H,10-11,14-17,19-20H2/t24-/m1/s1
InChIKeyPXWSWXBLUDILNX-XMMPIXPASA-N
MW390.53 g/mol
LogP2.98
Rot. Bonds8

About 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 30852850) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID30852850
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CCN1CCc1ccccc1
InChIInChI=1S/C24H30N4O/c29-17-11-24-20-26(15-16-27(24)14-10-21-6-2-1-3-7-21)19-22-8-4-9-23(18-22)28-13-5-12-25-28/h1-9,12-13,18,24,29H,10-11,14-17,19-20H2/t24-/m1/s1
InChIKeyPXWSWXBLUDILNX-XMMPIXPASA-N
XLogP2.98
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)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-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 92764868
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45182539
2-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56855840
2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 92764853
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797
2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51634550
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol (CID 30852850) is 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CCN1CCc1ccccc1.
What is the InChIKey of 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is PXWSWXBLUDILNX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N4O/c29-17-11-24-20-26(15-16-27(24)14-10-21-6-2-1-3-7-21)19-22-8-4-9-23(18-22)28-13-5-12-25-28/h1-9,12-13,18,24,29H,10-11,14-17,19-20H2/t24-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 390.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 30852850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).