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

C15H20N4 — CID 2812588

IUPAC1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCN1CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C15H20N4/c1-18-7-9-19(10-8-18)12-14-11-16-17-15(14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,16,17)
InChIKeyJFPAELUWAINHLQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.82
Rot. Bonds3

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

1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine (PubChem CID 2812588) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine
PubChem CID2812588
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine
SMILESCN1CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C15H20N4/c1-18-7-9-19(10-8-18)12-14-11-16-17-15(14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,16,17)
InChIKeyJFPAELUWAINHLQ-UHFFFAOYSA-N
XLogP1.82
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine (CID 2812588) is 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine is CN1CCN(Cc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine?
The InChIKey is JFPAELUWAINHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-7-9-19(10-8-18)12-14-11-16-17-15(14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,16,17).
What are the key properties of 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine?
1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine has a molecular weight of 256.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 2812588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).