2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride

C19H29ClN4 — CID 120769087

IUPAC2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2cnn(C(C)C)c2)cc1.Cl
InChIInChI=1S/C19H28N4.ClH/c1-4-16-5-7-18(8-6-16)19-12-20-9-10-22(19)13-17-11-21-23(14-17)15(2)3;/h5-8,11,14-15,19-20H,4,9-10,12-13H2,1-3H3;1H
InChIKeyOBHPZCLJBMDHJD-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.59
Rot. Bonds5

About 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride

2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120769087) has the molecular formula C19H29ClN4 and a molecular weight of 348.92 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120769087
Molecular FormulaC19H29ClN4
Molecular Weight348.92 g/mol
Exact Mass348.21
IUPAC Name2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCCc1ccc(C2CNCCN2Cc2cnn(C(C)C)c2)cc1.Cl
InChIInChI=1S/C19H28N4.ClH/c1-4-16-5-7-18(8-6-16)19-12-20-9-10-22(19)13-17-11-21-23(14-17)15(2)3;/h5-8,11,14-15,19-20H,4,9-10,12-13H2,1-3H3;1H
InChIKeyOBHPZCLJBMDHJD-UHFFFAOYSA-N
XLogP3.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine
CID 120769010
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
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
1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120769087) is 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride is CCc1ccc(C2CNCCN2Cc2cnn(C(C)C)c2)cc1.Cl.
What is the InChIKey of 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is OBHPZCLJBMDHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.ClH/c1-4-16-5-7-18(8-6-16)19-12-20-9-10-22(19)13-17-11-21-23(14-17)15(2)3;/h5-8,11,14-15,19-20H,4,9-10,12-13H2,1-3H3;1H.
What are the key properties of 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120769087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).