1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

C17H19FN4O2 — CID 24811418

IUPAC1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C17H19FN4O2/c1-12-10-15(20-19-12)17(24)22-8-6-21(7-9-22)11-16(23)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,20)
InChIKeyKSDRDHTWNXOAEK-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.50
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24811418) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID24811418
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C17H19FN4O2/c1-12-10-15(20-19-12)17(24)22-8-6-21(7-9-22)11-16(23)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,20)
InChIKeyKSDRDHTWNXOAEK-UHFFFAOYSA-N
XLogP1.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 24811418) is 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is Cc1cc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KSDRDHTWNXOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-10-15(20-19-12)17(24)22-8-6-21(7-9-22)11-16(23)13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24811418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).