1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine

C17H23FN4 — CID 56888460

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
SMILESCCn1cc(CN2CCN(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C17H23FN4/c1-2-22-14-16(11-19-22)13-21-8-6-20(7-9-21)12-15-4-3-5-17(18)10-15/h3-5,10-11,14H,2,6-9,12-13H2,1H3
InChIKeyKKOPTROJSNMUGW-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.36
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine

1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 56888460) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID56888460
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
SMILESCCn1cc(CN2CCN(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C17H23FN4/c1-2-22-14-16(11-19-22)13-21-8-6-20(7-9-21)12-15-4-3-5-17(18)10-15/h3-5,10-11,14H,2,6-9,12-13H2,1H3
InChIKeyKKOPTROJSNMUGW-UHFFFAOYSA-N
XLogP2.36
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine (CID 56888460) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine is CCn1cc(CN2CCN(Cc3cccc(F)c3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is KKOPTROJSNMUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-2-22-14-16(11-19-22)13-21-8-6-20(7-9-21)12-15-4-3-5-17(18)10-15/h3-5,10-11,14H,2,6-9,12-13H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 302.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 56888460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).