2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol

C20H29FN4O — CID 45241583

IUPAC2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1cc(CN2CCN(Cc3ccccc3F)C(CCO)C2)[nH]n1
InChIInChI=1S/C20H29FN4O/c1-15(2)20-11-17(22-23-20)13-24-8-9-25(18(14-24)7-10-26)12-16-5-3-4-6-19(16)21/h3-6,11,15,18,26H,7-10,12-14H2,1-2H3,(H,22,23)
InChIKeyZPNUCKOGEHGVNG-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.74
Rot. Bonds7

About 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45241583) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45241583
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1cc(CN2CCN(Cc3ccccc3F)C(CCO)C2)[nH]n1
InChIInChI=1S/C20H29FN4O/c1-15(2)20-11-17(22-23-20)13-24-8-9-25(18(14-24)7-10-26)12-16-5-3-4-6-19(16)21/h3-6,11,15,18,26H,7-10,12-14H2,1-2H3,(H,22,23)
InChIKeyZPNUCKOGEHGVNG-UHFFFAOYSA-N
XLogP2.74
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
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2-[1-(3,4-difluorobenzyl)-4-(1H-pyrazol-3-ylmethyl)piperazin-2-yl]ethanol
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1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
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{4-benzyl-1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methanol
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2-{1-(4-fluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol
CID 16190340
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
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{1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16187625
2-{1-(3,4-difluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16188139
2-[4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190292
2-{1-cyclopentyl-4-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-fluorobenzyl]-2-piperazinyl}ethanol
CID 16190296
2-[4-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-1-(2-phenylethyl)-2-piperazinyl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol (CID 45241583) is 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol is CC(C)c1cc(CN2CCN(Cc3ccccc3F)C(CCO)C2)[nH]n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is ZPNUCKOGEHGVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-15(2)20-11-17(22-23-20)13-24-8-9-25(18(14-24)7-10-26)12-16-5-3-4-6-19(16)21/h3-6,11,15,18,26H,7-10,12-14H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(2-fluorophenyl)methyl]-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 360.48 g/mol, XLogP of 2.74, 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-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45241583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).