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

C21H23FN4O — CID 2812599

IUPAC1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-27-20-8-2-16(3-9-20)21-17(14-23-24-21)15-25-10-12-26(13-11-25)19-6-4-18(22)5-7-19/h2-9,14H,10-13,15H2,1H3,(H,23,24)
InChIKeyXDQLOZDWOOQDDU-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.55
Rot. Bonds5

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

1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 2812599) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID2812599
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H23FN4O/c1-27-20-8-2-16(3-9-20)21-17(14-23-24-21)15-25-10-12-26(13-11-25)19-6-4-18(22)5-7-19/h2-9,14H,10-13,15H2,1H3,(H,23,24)
InChIKeyXDQLOZDWOOQDDU-UHFFFAOYSA-N
XLogP3.55
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 2812599) is 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine is COc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is XDQLOZDWOOQDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-27-20-8-2-16(3-9-20)21-17(14-23-24-21)15-25-10-12-26(13-11-25)19-6-4-18(22)5-7-19/h2-9,14H,10-13,15H2,1H3,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 366.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 2812599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).