2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol

C18H28N4O2 — CID 45169245

IUPAC2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(CCCn3cccn3)CC2CCO)o1
InChIInChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-21-12-11-20(14-17(21)6-13-23)8-3-10-22-9-2-7-19-22/h2,4-5,7,9,17,23H,3,6,8,10-15H2,1H3
InChIKeyPUWMLOFYNMSARE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.74
Rot. Bonds8

About 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol

2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol (PubChem CID 45169245) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
PubChem CID45169245
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(CCCn3cccn3)CC2CCO)o1
InChIInChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-21-12-11-20(14-17(21)6-13-23)8-3-10-22-9-2-7-19-22/h2,4-5,7,9,17,23H,3,6,8,10-15H2,1H3
InChIKeyPUWMLOFYNMSARE-UHFFFAOYSA-N
XLogP1.74
TPSA57.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-ethyl-1-[(5-methylfuran-2-yl)methyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 166404355
2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51635125
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51636339
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 98566079
2-[1-[(5-methylfuran-2-yl)methyl]-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45229158
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 29027625
4-[[(3R)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 98567991
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 98649182
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 70753618
3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95861541

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol (CID 45169245) is 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(CCCn3cccn3)CC2CCO)o1.
What is the InChIKey of 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The InChIKey is PUWMLOFYNMSARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-21-12-11-20(14-17(21)6-13-23)8-3-10-22-9-2-7-19-22/h2,4-5,7,9,17,23H,3,6,8,10-15H2,1H3.
What are the key properties of 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol has a molecular weight of 332.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45169245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).