[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate

C31H27ClN2O5 — CID 23991240

IUPAC[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C31H27ClN2O5/c1-20(39-27-15-11-25(32)12-16-27)31(36)38-19-30(35)34-29(22-9-13-26(37-2)14-10-22)18-28(33-34)24-8-7-21-5-3-4-6-23(21)17-24/h3-17,20,29H,18-19H2,1-2H3
InChIKeyXPEQROJGWUMXGM-UHFFFAOYSA-N
MW543.02 g/mol
LogP6.19
Rot. Bonds8

About [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate

[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate (PubChem CID 23991240) has the molecular formula C31H27ClN2O5 and a molecular weight of 543.02 g/mol. Its IUPAC name is [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
PubChem CID23991240
Molecular FormulaC31H27ClN2O5
Molecular Weight543.02 g/mol
Exact Mass542.16
IUPAC Name[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C31H27ClN2O5/c1-20(39-27-15-11-25(32)12-16-27)31(36)38-19-30(35)34-29(22-9-13-26(37-2)14-10-22)18-28(33-34)24-8-7-21-5-3-4-6-23(21)17-24/h3-17,20,29H,18-19H2,1-2H3
InChIKeyXPEQROJGWUMXGM-UHFFFAOYSA-N
XLogP6.19
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.02
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate 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-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 23854783
2-chloro-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 5019320
[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 4614325
[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55312913
[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 4566826
2-[[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 17411276
[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-pyrazol-1-ylpropanoate
CID 41103678
2-(azocan-1-yl)-1-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 32700570
1-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 41144473
2-[(E)-benzylideneamino]oxy-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16545192
2-[(3-chlorophenyl)methylamino]-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 3988738
[2-[(3R)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (1S,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 98419647

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
The IUPAC name of [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate (CID 23991240) is [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate is COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
The InChIKey is XPEQROJGWUMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN2O5/c1-20(39-27-15-11-25(32)12-16-27)31(36)38-19-30(35)34-29(22-9-13-26(37-2)14-10-22)18-28(33-34)24-8-7-21-5-3-4-6-23(21)17-24/h3-17,20,29H,18-19H2,1-2H3.
What are the key properties of [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate?
[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate has a molecular weight of 543.02 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 23991240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).