2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone

C17H19ClN4O2 — CID 71873173

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-20-11-14(10-19-20)16(23)12-21-6-8-22(9-7-21)17(24)13-2-4-15(18)5-3-13/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJZIVHLULSCULJS-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 71873173) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID71873173
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H19ClN4O2/c1-20-11-14(10-19-20)16(23)12-21-6-8-22(9-7-21)17(24)13-2-4-15(18)5-3-13/h2-5,10-11H,6-9,12H2,1H3
InChIKeyJZIVHLULSCULJS-UHFFFAOYSA-N
XLogP1.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-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

Related Compounds

(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709754
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110658667
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
(4-methylphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331387
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110358779
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(4-chlorophenyl)-2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110358816
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 71873173) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is JZIVHLULSCULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-20-11-14(10-19-20)16(23)12-21-6-8-22(9-7-21)17(24)13-2-4-15(18)5-3-13/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 346.82 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 71873173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).