2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine

C20H22ClN5 — CID 120768758

IUPAC2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(-c2ccncc2)cc1CN1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H22ClN5/c1-15-16(14-26(24-15)17-6-8-22-9-7-17)13-25-11-10-23-12-20(25)18-4-2-3-5-19(18)21/h2-9,14,20,23H,10-13H2,1H3
InChIKeyPZGZFPYGDCVAGX-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.38
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine

2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine (PubChem CID 120768758) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
PubChem CID120768758
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
SMILESCc1nn(-c2ccncc2)cc1CN1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H22ClN5/c1-15-16(14-26(24-15)17-6-8-22-9-7-17)13-25-11-10-23-12-20(25)18-4-2-3-5-19(18)21/h2-9,14,20,23H,10-13H2,1H3
InChIKeyPZGZFPYGDCVAGX-UHFFFAOYSA-N
XLogP3.38
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767678
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767925
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
1-[(3-chloro-2-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120909906
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755
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
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine (CID 120768758) is 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine is Cc1nn(-c2ccncc2)cc1CN1CCNCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
The InChIKey is PZGZFPYGDCVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-15-16(14-26(24-15)17-6-8-22-9-7-17)13-25-11-10-23-12-20(25)18-4-2-3-5-19(18)21/h2-9,14,20,23H,10-13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine?
2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine has a molecular weight of 367.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 120768758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).