2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C20H28F2N4O — CID 45192921

IUPAC2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)n1cc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)cn1
InChIInChI=1S/C20H28F2N4O/c1-15(2)26-13-17(10-23-26)11-24-6-7-25(18(14-24)5-8-27)12-16-3-4-19(21)20(22)9-16/h3-4,9-10,13,15,18,27H,5-8,11-12,14H2,1-2H3
InChIKeyZDRYYXYZWBGVSJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.81
Rot. Bonds7

About 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45192921) has the molecular formula C20H28F2N4O and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45192921
Molecular FormulaC20H28F2N4O
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)n1cc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)cn1
InChIInChI=1S/C20H28F2N4O/c1-15(2)26-13-17(10-23-26)11-24-6-7-25(18(14-24)5-8-27)12-16-3-4-19(21)20(22)9-16/h3-4,9-10,13,15,18,27H,5-8,11-12,14H2,1-2H3
InChIKeyZDRYYXYZWBGVSJ-UHFFFAOYSA-N
XLogP2.81
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
2-{1-isopropyl-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16192436
{3-benzyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methanol
CID 16188140
2-{4-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-1-isobutylpiperazin-2-yl}ethanol
CID 16190995
2-[4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191709
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
2-{1-(3-methylbutyl)-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16188373
2-(4-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl) methyl) piperazin-1-yl)ethanol
CID 135659014
2-[4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16188292
2-{4-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-1-isopropyl-2-piperazinyl}ethanol
CID 16187467
2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)benzyl]-2-piperazinyl}ethanol
CID 16188243
2-{1-cyclopentyl-4-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]piperazin-2-yl}ethanol
CID 16190147

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45192921) is 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CC(C)n1cc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)cn1.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is ZDRYYXYZWBGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O/c1-15(2)26-13-17(10-23-26)11-24-6-7-25(18(14-24)5-8-27)12-16-3-4-19(21)20(22)9-16/h3-4,9-10,13,15,18,27H,5-8,11-12,14H2,1-2H3.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 378.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45192921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).