[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone

C23H25ClN4O — CID 172742705

IUPAC[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone
SMILESCc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n(C(=O)c2ccccc2)n1
InChIInChI=1S/C23H25ClN4O/c1-18-16-22(28(25-18)23(29)19-6-3-2-4-7-19)10-11-26-12-14-27(15-13-26)21-9-5-8-20(24)17-21/h2-9,16-17H,10-15H2,1H3
InChIKeyJHSKFVAEIDGBMI-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.90
Rot. Bonds5

About [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone

[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone (PubChem CID 172742705) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone
PubChem CID172742705
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone
SMILESCc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n(C(=O)c2ccccc2)n1
InChIInChI=1S/C23H25ClN4O/c1-18-16-22(28(25-18)23(29)19-6-3-2-4-7-19)10-11-26-12-14-27(15-13-26)21-9-5-8-20(24)17-21/h2-9,16-17H,10-15H2,1H3
InChIKeyJHSKFVAEIDGBMI-UHFFFAOYSA-N
XLogP3.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone 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

2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-methyl-6-phenylpyridazin-3-one
CID 70275794
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethoxy]benzoic acid
CID 22680945
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 167807980
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574
4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
CID 14423689
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155

Frequently Asked Questions

What is the IUPAC name of [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone (CID 172742705) is [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone is Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n(C(=O)c2ccccc2)n1.
What is the InChIKey of [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone?
The InChIKey is JHSKFVAEIDGBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-18-16-22(28(25-18)23(29)19-6-3-2-4-7-19)10-11-26-12-14-27(15-13-26)21-9-5-8-20(24)17-21/h2-9,16-17H,10-15H2,1H3.
What are the key properties of [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone?
[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone has a molecular weight of 408.93 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-methylpyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 172742705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).