1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone

C22H29Cl2N5O4 — CID 89147260

IUPAC1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)CN3N=C(C(=O)N4CCOCC4)C(Cl)C3C)CC2)ccc1Cl
InChIInChI=1S/C22H29Cl2N5O4/c1-15-20(24)21(22(31)28-9-11-33-12-10-28)25-29(15)14-19(30)27-7-5-26(6-8-27)16-3-4-17(23)18(13-16)32-2/h3-4,13,15,20H,5-12,14H2,1-2H3
InChIKeySQXLTWBGNFCTGK-UHFFFAOYSA-N
MW498.41 g/mol
LogP1.52
Rot. Bonds5

About 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 89147260) has the molecular formula C22H29Cl2N5O4 and a molecular weight of 498.41 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID89147260
Molecular FormulaC22H29Cl2N5O4
Molecular Weight498.41 g/mol
Exact Mass497.16
IUPAC Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)CN3N=C(C(=O)N4CCOCC4)C(Cl)C3C)CC2)ccc1Cl
InChIInChI=1S/C22H29Cl2N5O4/c1-15-20(24)21(22(31)28-9-11-33-12-10-28)25-29(15)14-19(30)27-7-5-26(6-8-27)16-3-4-17(23)18(13-16)32-2/h3-4,13,15,20H,5-12,14H2,1-2H3
InChIKeySQXLTWBGNFCTGK-UHFFFAOYSA-N
XLogP1.52
TPSA77.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-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

2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
3-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-hydroxy-1,3-benzoxazol-2-one
CID 58834349
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-3-methyl-5-propan-2-ylpyrazol-1-yl)ethanone
CID 142843277
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 70829636
2-[5-(aminomethyl)-4-chloro-3-iodopyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 163998122
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-[4-chloro-3-(1-hydroxypyridin-1-ium-4-yl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 135974478
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(6-methylpyrazolo[4,5-b]pyridin-1-yl)ethanone
CID 142790163
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-propyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 21071060
CID 58237741
CID 58237741
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[5-(2,3-dihydrofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 70967652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 89147260) is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1cc(N2CCN(C(=O)CN3N=C(C(=O)N4CCOCC4)C(Cl)C3C)CC2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is SQXLTWBGNFCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2N5O4/c1-15-20(24)21(22(31)28-9-11-33-12-10-28)25-29(15)14-19(30)27-7-5-26(6-8-27)16-3-4-17(23)18(13-16)32-2/h3-4,13,15,20H,5-12,14H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 498.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-methyl-5-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 89147260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).