2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine

C17H24N4 — CID 120769132

IUPAC2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCCc1ccc(C2CNCCN2Cc2ccnn2C)cc1
InChIInChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-12-18-10-11-21(17)13-16-8-9-19-20(16)2/h4-9,17-18H,3,10-13H2,1-2H3
InChIKeyPOMAIXCEYHPTFB-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine

2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 120769132) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
PubChem CID120769132
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCCc1ccc(C2CNCCN2Cc2ccnn2C)cc1
InChIInChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-12-18-10-11-21(17)13-16-8-9-19-20(16)2/h4-9,17-18H,3,10-13H2,1-2H3
InChIKeyPOMAIXCEYHPTFB-UHFFFAOYSA-N
XLogP2.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
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
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
5-cyclopropyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120758089
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
3-tert-butyl-5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120758116

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine (CID 120769132) is 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine is CCc1ccc(C2CNCCN2Cc2ccnn2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is POMAIXCEYHPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-14-4-6-15(7-5-14)17-12-18-10-11-21(17)13-16-8-9-19-20(16)2/h4-9,17-18H,3,10-13H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 120769132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).