1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine

C17H24N4 — CID 118789531

IUPAC1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCCc1ccccc1N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H24N4/c1-2-16-6-3-4-7-17(16)20-13-10-19(11-14-20)12-15-21-9-5-8-18-21/h3-9H,2,10-15H2,1H3
InChIKeyYMUUIPRQAZOEJO-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.27
Rot. Bonds5

About 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine

1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 118789531) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID118789531
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCCc1ccccc1N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H24N4/c1-2-16-6-3-4-7-17(16)20-13-10-19(11-14-20)12-15-21-9-5-8-18-21/h3-9H,2,10-15H2,1H3
InChIKeyYMUUIPRQAZOEJO-UHFFFAOYSA-N
XLogP2.27
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 28685245
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
(2R)-N-[(2-morpholin-4-ylphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95275011
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
(E)-3-phenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 90508586
1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
CID 58996638
4-[6-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 71874854
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
(2R)-2-phenyl-1-[4-(2-pyrazol-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 95985415

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine (CID 118789531) is 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine is CCc1ccccc1N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is YMUUIPRQAZOEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-16-6-3-4-7-17(16)20-13-10-19(11-14-20)12-15-21-9-5-8-18-21/h3-9H,2,10-15H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine?
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 118789531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).