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

C23H26F2N4O — CID 45186544

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CCN1Cc1ccccc1F
InChIInChI=1S/C23H26F2N4O/c24-20-7-5-17(6-8-20)23-19(13-26-27-23)14-28-10-11-29(21(16-28)9-12-30)15-18-3-1-2-4-22(18)25/h1-8,13,21,30H,9-12,14-16H2,(H,26,27)
InChIKeyDVXACFQKSYIZKQ-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.42
Rot. Bonds7

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

2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol (PubChem CID 45186544) has the molecular formula C23H26F2N4O and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
PubChem CID45186544
Molecular FormulaC23H26F2N4O
Molecular Weight412.48 g/mol
Exact Mass412.21
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CCN1Cc1ccccc1F
InChIInChI=1S/C23H26F2N4O/c24-20-7-5-17(6-8-20)23-19(13-26-27-23)14-28-10-11-29(21(16-28)9-12-30)15-18-3-1-2-4-22(18)25/h1-8,13,21,30H,9-12,14-16H2,(H,26,27)
InChIKeyDVXACFQKSYIZKQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)propan-1-ol
CID 16187516
[3-benzyl-1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanol
CID 16188170
2-[1-(3,4-difluorobenzyl)-4-(1H-pyrazol-3-ylmethyl)piperazin-2-yl]ethanol
CID 16190588
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188712
2-{1-(4-fluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 16190340
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190754
(2S)-1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methyl-2-phenylpiperazine
CID 16192301
4-[(4-fluorophenyl)methylidene]-1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 9886126
{3-(2-methylbenzyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16190408
2-{1-(3,4-difluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16188139

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol (CID 45186544) is 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CCN1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
The InChIKey is DVXACFQKSYIZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O/c24-20-7-5-17(6-8-20)23-19(13-26-27-23)14-28-10-11-29(21(16-28)9-12-30)15-18-3-1-2-4-22(18)25/h1-8,13,21,30H,9-12,14-16H2,(H,26,27).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol?
2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol has a molecular weight of 412.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45186544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).