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

C16H22Cl2N4 — CID 120768961

IUPAC2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCc1nn(C)cc1CN1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C16H21ClN4.ClH/c1-12-13(10-20(2)19-12)11-21-8-7-18-9-16(21)14-5-3-4-6-15(14)17;/h3-6,10,16,18H,7-9,11H2,1-2H3;1H
InChIKeyRCEYURKUVYIZGG-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.95
Rot. Bonds3

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

2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120768961) has the molecular formula C16H22Cl2N4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120768961
Molecular FormulaC16H22Cl2N4
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCc1nn(C)cc1CN1CCNCC1c1ccccc1Cl.Cl
InChIInChI=1S/C16H21ClN4.ClH/c1-12-13(10-20(2)19-12)11-21-8-7-18-9-16(21)14-5-3-4-6-15(14)17;/h3-6,10,16,18H,7-9,11H2,1-2H3;1H
InChIKeyRCEYURKUVYIZGG-UHFFFAOYSA-N
XLogP2.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
CID 120768758
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
2-(2-chlorophenyl)-1-(2-ethylsulfanylethyl)piperazine;hydrochloride
CID 120757707
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120768961) is 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride is Cc1nn(C)cc1CN1CCNCC1c1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is RCEYURKUVYIZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4.ClH/c1-12-13(10-20(2)19-12)11-21-8-7-18-9-16(21)14-5-3-4-6-15(14)17;/h3-6,10,16,18H,7-9,11H2,1-2H3;1H.
What are the key properties of 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride?
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 341.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120768961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).