1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

C17H19FN4O2 — CID 24811854

IUPAC1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCn1ccc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H19FN4O2/c1-20-7-6-15(19-20)17(24)22-10-8-21(9-11-22)12-16(23)13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3
InChIKeySGCIVAJSWROLHV-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.20
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 24811854) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID24811854
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCn1ccc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H19FN4O2/c1-20-7-6-15(19-20)17(24)22-10-8-21(9-11-22)12-16(23)13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3
InChIKeySGCIVAJSWROLHV-UHFFFAOYSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-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-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 24811854) is 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is Cn1ccc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SGCIVAJSWROLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-20-7-6-15(19-20)17(24)22-10-8-21(9-11-22)12-16(23)13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(1-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 24811854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).