1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

C21H23FN4O — CID 2812421

IUPAC1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O/c1-27-20-5-3-2-4-19(20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-6-8-18(22)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,24)
InChIKeyWQBUJCPDQZOYKF-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.55
Rot. Bonds5

About 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 2812421) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID2812421
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O/c1-27-20-5-3-2-4-19(20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-6-8-18(22)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,24)
InChIKeyWQBUJCPDQZOYKF-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-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 2812421) is 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is WQBUJCPDQZOYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-27-20-5-3-2-4-19(20)26-12-10-25(11-13-26)15-17-14-23-24-21(17)16-6-8-18(22)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,23,24).
What are the key properties of 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)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-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 2812421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).