2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine

C17H23ClN4O — CID 120768834

IUPAC2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
SMILESCOCCn1cc(CN2CCNCC2c2ccccc2Cl)cn1
InChIInChI=1S/C17H23ClN4O/c1-23-9-8-22-13-14(10-20-22)12-21-7-6-19-11-17(21)15-4-2-3-5-16(15)18/h2-5,10,13,17,19H,6-9,11-12H2,1H3
InChIKeyXEPHQNRJGVNPJJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.33
Rot. Bonds6

About 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine

2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 120768834) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
PubChem CID120768834
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
SMILESCOCCn1cc(CN2CCNCC2c2ccccc2Cl)cn1
InChIInChI=1S/C17H23ClN4O/c1-23-9-8-22-13-14(10-20-22)12-21-7-6-19-11-17(21)15-4-2-3-5-16(15)18/h2-5,10,13,17,19H,6-9,11-12H2,1H3
InChIKeyXEPHQNRJGVNPJJ-UHFFFAOYSA-N
XLogP2.33
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
CID 120768816
2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767460
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767459
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
methyl 4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120768800

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine (CID 120768834) is 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine is COCCn1cc(CN2CCNCC2c2ccccc2Cl)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is XEPHQNRJGVNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-23-9-8-22-13-14(10-20-22)12-21-7-6-19-11-17(21)15-4-2-3-5-16(15)18/h2-5,10,13,17,19H,6-9,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine?
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 334.85 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 120768834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).