1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine

C20H22N4 — CID 10403608

IUPAC1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
InChIKeyPMMMMZICRVMUKQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.19
Rot. Bonds4

About 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine

1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine (PubChem CID 10403608) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
PubChem CID10403608
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2
InChIKeyPMMMMZICRVMUKQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine (CID 10403608) is 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine is c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
The InChIKey is PMMMMZICRVMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-19(8-4-1)23-13-11-22(12-14-23)16-18-15-21-24(17-18)20-9-5-2-6-10-20/h1-10,15,17H,11-14,16H2.
What are the key properties of 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine?
1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 10403608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).