1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine

C21H23FN4 — CID 56897722

IUPAC1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)CC2)c1
InChIInChI=1S/C21H23FN4/c22-20-6-1-4-18(14-20)16-24-10-12-25(13-11-24)17-19-5-2-7-21(15-19)26-9-3-8-23-26/h1-9,14-15H,10-13,16-17H2
InChIKeyBTXDMAMKTPTQSA-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.33
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine

1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine (PubChem CID 56897722) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
PubChem CID56897722
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)CC2)c1
InChIInChI=1S/C21H23FN4/c22-20-6-1-4-18(14-20)16-24-10-12-25(13-11-24)17-19-5-2-7-21(15-19)26-9-3-8-23-26/h1-9,14-15H,10-13,16-17H2
InChIKeyBTXDMAMKTPTQSA-UHFFFAOYSA-N
XLogP3.33
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[(3R,4S)-4-hydroxy-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]acetamide
CID 154563710
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
4-[(4-fluorophenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86967117
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole
CID 142149514
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine (CID 56897722) is 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine is Fc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine?
The InChIKey is BTXDMAMKTPTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-20-6-1-4-18(14-20)16-24-10-12-25(13-11-24)17-19-5-2-7-21(15-19)26-9-3-8-23-26/h1-9,14-15H,10-13,16-17H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine has a molecular weight of 350.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine is sourced from PubChem (CID 56897722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).