2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine

C15H19ClN4 — CID 120768956

IUPAC2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1nccc1CN1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H19ClN4/c1-19-12(6-7-18-19)11-20-9-8-17-10-15(20)13-4-2-3-5-14(13)16/h2-7,15,17H,8-11H2,1H3
InChIKeyFNIUJLRWZDFXAH-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.22
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine

2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 120768956) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
PubChem CID120768956
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1nccc1CN1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H19ClN4/c1-19-12(6-7-18-19)11-20-9-8-17-10-15(20)13-4-2-3-5-14(13)16/h2-7,15,17H,8-11H2,1H3
InChIKeyFNIUJLRWZDFXAH-UHFFFAOYSA-N
XLogP2.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
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
3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 120768922
2-(2-chlorophenyl)-1-(2-ethylsulfonylethyl)piperazine;hydrochloride
CID 120757517
2-(2-chlorophenyl)-1-(2-ethylsulfanylethyl)piperazine;hydrochloride
CID 120757707

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine (CID 120768956) is 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine is Cn1nccc1CN1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is FNIUJLRWZDFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19-12(6-7-18-19)11-20-9-8-17-10-15(20)13-4-2-3-5-14(13)16/h2-7,15,17H,8-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine?
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 290.80 g/mol, XLogP of 2.22, 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-[(2-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 120768956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).