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

C16H16ClFN4O2 — CID 24811298

IUPAC2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)
InChIKeyFCJTZKPTETVWTI-UHFFFAOYSA-N
MW350.78 g/mol
LogP1.84
Rot. Bonds4

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

2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 24811298) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
PubChem CID24811298
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
SMILESO=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20)
InChIKeyFCJTZKPTETVWTI-UHFFFAOYSA-N
XLogP1.84
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

Pyrazole diamide, 32
CID 24971323
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide
CID 1475595
2-(4-(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl)-1-(4-fluorophenyl)ethanone
CID 24810867
1-(4-Fluorophenyl)-2-[4-(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24811415
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
2-[4-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24811420
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
2-[4-(4-Chloro-1-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24812467
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione
CID 24994152
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-fluoro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995073
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-chloro-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995078
1-(4-Fluorophenyl)-2-[4-(1-methyl-5-trifluoromethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 46901908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone (CID 24811298) is 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is O=C(CN1CCN(C(=O)c2[nH]ncc2Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is FCJTZKPTETVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-13-9-19-20-15(13)16(24)22-7-5-21(6-8-22)10-14(23)11-1-3-12(18)4-2-11/h1-4,9H,5-8,10H2,(H,19,20).
What are the key properties of 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone?
2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 350.78 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24811298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).