2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

C24H29FN4O — CID 30673490

IUPAC2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)C[C@@H]1CCO
InChIInChI=1S/C24H29FN4O/c1-18-4-2-3-5-20(18)16-29-12-11-28(17-23(29)10-13-30)15-21-14-26-27-24(21)19-6-8-22(25)9-7-19/h2-9,14,23,30H,10-13,15-17H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyUWWONWUWIUKLFD-QHCPKHFHSA-N
MW408.52 g/mol
LogP3.59
Rot. Bonds7

About 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 30673490) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID30673490
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)C[C@@H]1CCO
InChIInChI=1S/C24H29FN4O/c1-18-4-2-3-5-20(18)16-29-12-11-28(17-23(29)10-13-30)15-21-14-26-27-24(21)19-6-8-22(25)9-7-19/h2-9,14,23,30H,10-13,15-17H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyUWWONWUWIUKLFD-QHCPKHFHSA-N
XLogP3.59
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)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)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28731718
2-[1-[(2-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 45250534
2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 30673653
2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 28958065
2-[1-[(2-methylphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45245970
2-[(2S)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635379
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45194079
2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29088397
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[(2R)-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-methylpiperazin-2-yl]ethanol
CID 98589178
2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28735204

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 30673490) is 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccccc1CN1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is UWWONWUWIUKLFD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-18-4-2-3-5-20(18)16-29-12-11-28(17-23(29)10-13-30)15-21-14-26-27-24(21)19-6-8-22(25)9-7-19/h2-9,14,23,30H,10-13,15-17H2,1H3,(H,26,27)/t23-/m0/s1.
What are the key properties of 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 408.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 30673490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).