2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C17H32N4O — CID 45175240

IUPAC2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(CC(C)C)C(CCO)C2)c(C)n1
InChIInChI=1S/C17H32N4O/c1-5-21-12-16(15(4)18-21)11-19-7-8-20(10-14(2)3)17(13-19)6-9-22/h12,14,17,22H,5-11,13H2,1-4H3
InChIKeyKYLAAMQGTJTPOF-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.74
Rot. Bonds7

About 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 45175240) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID45175240
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCCn1cc(CN2CCN(CC(C)C)C(CCO)C2)c(C)n1
InChIInChI=1S/C17H32N4O/c1-5-21-12-16(15(4)18-21)11-19-7-8-20(10-14(2)3)17(13-19)6-9-22/h12,14,17,22H,5-11,13H2,1-4H3
InChIKeyKYLAAMQGTJTPOF-UHFFFAOYSA-N
XLogP1.74
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 45175240) is 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is CCn1cc(CN2CCN(CC(C)C)C(CCO)C2)c(C)n1.
What is the InChIKey of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is KYLAAMQGTJTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-5-21-12-16(15(4)18-21)11-19-7-8-20(10-14(2)3)17(13-19)6-9-22/h12,14,17,22H,5-11,13H2,1-4H3.
What are the key properties of 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 308.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45175240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).