1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine

C20H22N4 — CID 70981611

IUPAC1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3nccc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N4/c1-22-13-15-23(16-14-22)18-7-9-19(10-8-18)24-20(11-12-21-24)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3
InChIKeyRORGONDVTUWROM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.29
Rot. Bonds3

About 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine

1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine (PubChem CID 70981611) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine
PubChem CID70981611
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3nccc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H22N4/c1-22-13-15-23(16-14-22)18-7-9-19(10-8-18)24-20(11-12-21-24)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3
InChIKeyRORGONDVTUWROM-UHFFFAOYSA-N
XLogP3.29
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine (CID 70981611) is 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine is CN1CCN(c2ccc(-n3nccc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine?
The InChIKey is RORGONDVTUWROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-22-13-15-23(16-14-22)18-7-9-19(10-8-18)24-20(11-12-21-24)17-5-3-2-4-6-17/h2-12H,13-16H2,1H3.
What are the key properties of 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine?
1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine is sourced from PubChem (CID 70981611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).