2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine

C17H24N4 — CID 120769026

IUPAC2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCCc1ccc(C2CNCCN2Cc2cn[nH]c2C)cc1
InChIInChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-11-18-8-9-21(17)12-16-10-19-20-13(16)2/h4-7,10,17-18H,3,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyFFEVWYMHZIYRMC-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine

2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine (PubChem CID 120769026) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
PubChem CID120769026
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCCc1ccc(C2CNCCN2Cc2cn[nH]c2C)cc1
InChIInChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-11-18-8-9-21(17)12-16-10-19-20-13(16)2/h4-7,10,17-18H,3,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyFFEVWYMHZIYRMC-UHFFFAOYSA-N
XLogP2.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 120769082
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120769087
2-(4-ethylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120769097
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846605

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine (CID 120769026) is 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine is CCc1ccc(C2CNCCN2Cc2cn[nH]c2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
The InChIKey is FFEVWYMHZIYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-11-18-8-9-21(17)12-16-10-19-20-13(16)2/h4-7,10,17-18H,3,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine?
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 120769026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).