1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine

C20H22N4 — CID 25333445

IUPAC1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-2-5-19(6-3-1)23-15-13-22(14-16-23)17-18-7-9-20(10-8-18)24-12-4-11-21-24/h1-12H,13-17H2
InChIKeyPKQSDHHTBMYENT-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.19
Rot. Bonds4

About 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine

1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine (PubChem CID 25333445) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
PubChem CID25333445
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-2-5-19(6-3-1)23-15-13-22(14-16-23)17-18-7-9-20(10-8-18)24-12-4-11-21-24/h1-12H,13-17H2
InChIKeyPKQSDHHTBMYENT-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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Related Compounds

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CID 5727668
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Sant-1
CID 6878030
3-(3-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
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1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
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4-(1H-pyrazol-1-ylmethyl)aniline
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1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
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CID 44419065

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine (CID 25333445) is 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine is c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The InChIKey is PKQSDHHTBMYENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-5-19(6-3-1)23-15-13-22(14-16-23)17-18-7-9-20(10-8-18)24-12-4-11-21-24/h1-12H,13-17H2.
What are the key properties of 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
1-phenyl-4-[(4-pyrazol-1-ylphenyl)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-[(4-pyrazol-1-ylphenyl)methyl]piperazine is sourced from PubChem (CID 25333445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).