2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol

C19H29N7O — CID 59438230

IUPAC2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CN2CCN(c3nccnc3N3CCCCC3)CC2)cn1
InChIInChI=1S/C19H29N7O/c27-13-12-26-16-17(14-22-26)15-23-8-10-25(11-9-23)19-18(20-4-5-21-19)24-6-2-1-3-7-24/h4-5,14,16,27H,1-3,6-13,15H2
InChIKeyMCAXNYFKZPATPS-UHFFFAOYSA-N
MW371.49 g/mol
LogP0.98
Rot. Bonds6

About 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 59438230) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID59438230
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CN2CCN(c3nccnc3N3CCCCC3)CC2)cn1
InChIInChI=1S/C19H29N7O/c27-13-12-26-16-17(14-22-26)15-23-8-10-25(11-9-23)19-18(20-4-5-21-19)24-6-2-1-3-7-24/h4-5,14,16,27H,1-3,6-13,15H2
InChIKeyMCAXNYFKZPATPS-UHFFFAOYSA-N
XLogP0.98
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 59438230) is 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CN2CCN(c3nccnc3N3CCCCC3)CC2)cn1.
What is the InChIKey of 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is MCAXNYFKZPATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c27-13-12-26-16-17(14-22-26)15-23-8-10-25(11-9-23)19-18(20-4-5-21-19)24-6-2-1-3-7-24/h4-5,14,16,27H,1-3,6-13,15H2.
What are the key properties of 2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[4-[[4-(3-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 371.49 g/mol, XLogP of 0.98, 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-piperidin-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 59438230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).