2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol

C21H33N7O — CID 59438210

IUPAC2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(CCO)CC3)CC2)cnn1C
InChIInChI=1S/C21H33N7O/c1-17-19(15-24-25(17)2)16-26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-3-18(4-9-27)5-14-29/h6-7,15,18,29H,3-5,8-14,16H2,1-2H3
InChIKeyJLVPBYAKQQCNAF-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.44
Rot. Bonds6

About 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol

2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol (PubChem CID 59438210) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol
PubChem CID59438210
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC Name2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(CCO)CC3)CC2)cnn1C
InChIInChI=1S/C21H33N7O/c1-17-19(15-24-25(17)2)16-26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-3-18(4-9-27)5-14-29/h6-7,15,18,29H,3-5,8-14,16H2,1-2H3
InChIKeyJLVPBYAKQQCNAF-UHFFFAOYSA-N
XLogP1.44
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol (CID 59438210) is 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol is Cc1c(CN2CCN(c3nccnc3N3CCC(CCO)CC3)CC2)cnn1C.
What is the InChIKey of 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is JLVPBYAKQQCNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O/c1-17-19(15-24-25(17)2)16-26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-3-18(4-9-27)5-14-29/h6-7,15,18,29H,3-5,8-14,16H2,1-2H3.
What are the key properties of 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol?
2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 399.54 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 59438210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).