2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride

C20H24ClFN6O — CID 68594249

IUPAC2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride
SMILESCl.OCCn1cc(CN2CCN(c3nccnc3-c3ccccc3F)CC2)cn1
InChIInChI=1S/C20H23FN6O.ClH/c21-18-4-2-1-3-17(18)19-20(23-6-5-22-19)26-9-7-25(8-10-26)14-16-13-24-27(15-16)11-12-28;/h1-6,13,15,28H,7-12,14H2;1H
InChIKeyXGHWGHQCYRYMGJ-UHFFFAOYSA-N
MW418.90 g/mol
LogP2.22
Rot. Bonds6

About 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride

2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride (PubChem CID 68594249) has the molecular formula C20H24ClFN6O and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride
PubChem CID68594249
Molecular FormulaC20H24ClFN6O
Molecular Weight418.90 g/mol
Exact Mass418.17
IUPAC Name2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride
SMILESCl.OCCn1cc(CN2CCN(c3nccnc3-c3ccccc3F)CC2)cn1
InChIInChI=1S/C20H23FN6O.ClH/c21-18-4-2-1-3-17(18)19-20(23-6-5-22-19)26-9-7-25(8-10-26)14-16-13-24-27(15-16)11-12-28;/h1-6,13,15,28H,7-12,14H2;1H
InChIKeyXGHWGHQCYRYMGJ-UHFFFAOYSA-N
XLogP2.22
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride with MolForge

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Related Compounds

1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 68594989
2-(5-fluoro-2-methylphenyl)-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine;hydrochloride
CID 68596307
(2R)-1-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]-3-methylbutan-2-ol;hydrochloride
CID 68594772
1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
CID 59321888
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59321903
N-[2-[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]ethyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 59252240
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 86641657
[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridinyl]piperidin-4-yl]methanol;hydrochloride
CID 67038358
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 59321981
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
CID 68597368

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride (CID 68594249) is 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride is Cl.OCCn1cc(CN2CCN(c3nccnc3-c3ccccc3F)CC2)cn1.
What is the InChIKey of 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride?
The InChIKey is XGHWGHQCYRYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O.ClH/c21-18-4-2-1-3-17(18)19-20(23-6-5-22-19)26-9-7-25(8-10-26)14-16-13-24-27(15-16)11-12-28;/h1-6,13,15,28H,7-12,14H2;1H.
What are the key properties of 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride?
2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride has a molecular weight of 418.90 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[3-(2-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 68594249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).