2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride

C17H24Cl2N4 — CID 120757443

IUPAC2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
SMILESCC(C)n1ccc(CN2CCNCC2c2ccccc2Cl)n1.Cl
InChIInChI=1S/C17H23ClN4.ClH/c1-13(2)22-9-7-14(20-22)12-21-10-8-19-11-17(21)15-5-3-4-6-16(15)18;/h3-7,9,13,17,19H,8,10-12H2,1-2H3;1H
InChIKeyMOMZNQYJVCRKOD-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride

2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride (PubChem CID 120757443) has the molecular formula C17H24Cl2N4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
PubChem CID120757443
Molecular FormulaC17H24Cl2N4
Molecular Weight355.31 g/mol
Exact Mass354.14
IUPAC Name2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
SMILESCC(C)n1ccc(CN2CCNCC2c2ccccc2Cl)n1.Cl
InChIInChI=1S/C17H23ClN4.ClH/c1-13(2)22-9-7-14(20-22)12-21-10-8-19-11-17(21)15-5-3-4-6-16(15)18;/h3-7,9,13,17,19H,8,10-12H2,1-2H3;1H
InChIKeyMOMZNQYJVCRKOD-UHFFFAOYSA-N
XLogP3.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120757480
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride (CID 120757443) is 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride is CC(C)n1ccc(CN2CCNCC2c2ccccc2Cl)n1.Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride?
The InChIKey is MOMZNQYJVCRKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4.ClH/c1-13(2)22-9-7-14(20-22)12-21-10-8-19-11-17(21)15-5-3-4-6-16(15)18;/h3-7,9,13,17,19H,8,10-12H2,1-2H3;1H.
What are the key properties of 2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride?
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride has a molecular weight of 355.31 g/mol, XLogP of 3.69, 4 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-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120757443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).