2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride

C19H28Cl2N4 — CID 120780200

IUPAC2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCCc1nn(C)c(CC)c1CN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H27ClN4.ClH/c1-4-17-16(18(5-2)23(3)22-17)13-24-10-9-21-12-19(24)14-7-6-8-15(20)11-14;/h6-8,11,19,21H,4-5,9-10,12-13H2,1-3H3;1H
InChIKeyPFWDFJCWWXYHRQ-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120780200) has the molecular formula C19H28Cl2N4 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120780200
Molecular FormulaC19H28Cl2N4
Molecular Weight383.37 g/mol
Exact Mass382.17
IUPAC Name2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCCc1nn(C)c(CC)c1CN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C19H27ClN4.ClH/c1-4-17-16(18(5-2)23(3)22-17)13-24-10-9-21-12-19(24)14-7-6-8-15(20)11-14;/h6-8,11,19,21H,4-5,9-10,12-13H2,1-3H3;1H
InChIKeyPFWDFJCWWXYHRQ-UHFFFAOYSA-N
XLogP3.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120780200) is 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride is CCc1nn(C)c(CC)c1CN1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is PFWDFJCWWXYHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4.ClH/c1-4-17-16(18(5-2)23(3)22-17)13-24-10-9-21-12-19(24)14-7-6-8-15(20)11-14;/h6-8,11,19,21H,4-5,9-10,12-13H2,1-3H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 383.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120780200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).