1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine

C15H19FN4 — CID 2812415

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4/c1-19-6-8-20(9-7-19)11-13-10-17-18-15(13)12-2-4-14(16)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,17,18)
InChIKeyRSDVXIAABWUOSJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.96
Rot. Bonds3

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine (PubChem CID 2812415) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
PubChem CID2812415
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4/c1-19-6-8-20(9-7-19)11-13-10-17-18-15(13)12-2-4-14(16)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,17,18)
InChIKeyRSDVXIAABWUOSJ-UHFFFAOYSA-N
XLogP1.96
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine (CID 2812415) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
The InChIKey is RSDVXIAABWUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-19-6-8-20(9-7-19)11-13-10-17-18-15(13)12-2-4-14(16)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,17,18).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine has a molecular weight of 274.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 2812415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).