1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine

C20H21ClN4 — CID 11337131

IUPAC1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
SMILESClc1ccc(C(c2ccc(-c3cn[nH]c3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C20H21ClN4/c21-19-7-5-17(6-8-19)20(25-11-9-22-10-12-25)16-3-1-15(2-4-16)18-13-23-24-14-18/h1-8,13-14,20,22H,9-12H2,(H,23,24)
InChIKeyMGYPCCQLBPTNML-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.72
Rot. Bonds4

About 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine

1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine (PubChem CID 11337131) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
PubChem CID11337131
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
SMILESClc1ccc(C(c2ccc(-c3cn[nH]c3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C20H21ClN4/c21-19-7-5-17(6-8-19)20(25-11-9-22-10-12-25)16-3-1-15(2-4-16)18-13-23-24-14-18/h1-8,13-14,20,22H,9-12H2,(H,23,24)
InChIKeyMGYPCCQLBPTNML-UHFFFAOYSA-N
XLogP3.72
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine (CID 11337131) is 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine is Clc1ccc(C(c2ccc(-c3cn[nH]c3)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
The InChIKey is MGYPCCQLBPTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-19-7-5-17(6-8-19)20(25-11-9-22-10-12-25)16-3-1-15(2-4-16)18-13-23-24-14-18/h1-8,13-14,20,22H,9-12H2,(H,23,24).
What are the key properties of 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine has a molecular weight of 352.87 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 11337131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).