1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine

C15H19FN4 — CID 117210563

IUPAC1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine
SMILESCCc1c(N2CCNCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN4/c1-2-14-15(19-9-7-17-8-10-19)11-18-20(14)13-5-3-12(16)4-6-13/h3-6,11,17H,2,7-10H2,1H3
InChIKeyCZFUBVMCHBDHOO-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.98
Rot. Bonds3

About 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine

1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine (PubChem CID 117210563) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine
PubChem CID117210563
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine
SMILESCCc1c(N2CCNCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN4/c1-2-14-15(19-9-7-17-8-10-19)11-18-20(14)13-5-3-12(16)4-6-13/h3-6,11,17H,2,7-10H2,1H3
InChIKeyCZFUBVMCHBDHOO-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine (CID 117210563) is 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine is CCc1c(N2CCNCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine?
The InChIKey is CZFUBVMCHBDHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-2-14-15(19-9-7-17-8-10-19)11-18-20(14)13-5-3-12(16)4-6-13/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine?
1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine has a molecular weight of 274.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).