2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol

C20H31N7O — CID 59438223

IUPAC2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCC1CCN(c2nccnc2N2CCN(Cc3cnn(CCO)c3)CC2)CC1
InChIInChI=1S/C20H31N7O/c1-17-2-6-25(7-3-17)19-20(22-5-4-21-19)26-10-8-24(9-11-26)15-18-14-23-27(16-18)12-13-28/h4-5,14,16-17,28H,2-3,6-13,15H2,1H3
InChIKeyMZUPOPHOLMNZOT-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.22
Rot. Bonds6

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

2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 59438223) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID59438223
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCC1CCN(c2nccnc2N2CCN(Cc3cnn(CCO)c3)CC2)CC1
InChIInChI=1S/C20H31N7O/c1-17-2-6-25(7-3-17)19-20(22-5-4-21-19)26-10-8-24(9-11-26)15-18-14-23-27(16-18)12-13-28/h4-5,14,16-17,28H,2-3,6-13,15H2,1H3
InChIKeyMZUPOPHOLMNZOT-UHFFFAOYSA-N
XLogP1.22
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-{4-[1-(Pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperazin-1-yl}ethanol
CID 131916160
[(4aS*,8aR*)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-(2-pyrazinyl)octahydro-1,6-naphthyridin-4a(2H)-yl]methanol
CID 133119531
4-[(1-Methylpyrazol-4-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672984
1-[(1-{[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]piperidin-3-ol
CID 45206422
2-[1-[3-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol
CID 59438210
[1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438213
{1-[4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl]-piperidin-4-yl]-methanol
CID 59438224
[1-[3-[4-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438227
2-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine
CID 59438229
2-[4-[[4-(3-Piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 59438230
1-[3-[4-[(1,5-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol
CID 59438239
2-[4-[[4-[3-[4-(Hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 59438240

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 59438223) is 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol is CC1CCN(c2nccnc2N2CCN(Cc3cnn(CCO)c3)CC2)CC1.
What is the InChIKey of 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is MZUPOPHOLMNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-17-2-6-25(7-3-17)19-20(22-5-4-21-19)26-10-8-24(9-11-26)15-18-14-23-27(16-18)12-13-28/h4-5,14,16-17,28H,2-3,6-13,15H2,1H3.
What are the key properties of 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 385.52 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 59438223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).