3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione

C24H27ClN4O4 — CID 46138978

IUPAC3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C24H27ClN4O4/c1-15-19(23(31)29(26-15)18-9-7-16(25)8-10-18)20-21(27-11-13-33-14-12-27)24(32)28(22(20)30)17-5-3-2-4-6-17/h7-10,17,26H,2-6,11-14H2,1H3
InChIKeyWYIMIURWGOVJQM-UHFFFAOYSA-N
MW470.96 g/mol
LogP2.87
Rot. Bonds4

About 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione

3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 46138978) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID46138978
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C24H27ClN4O4/c1-15-19(23(31)29(26-15)18-9-7-16(25)8-10-18)20-21(27-11-13-33-14-12-27)24(32)28(22(20)30)17-5-3-2-4-6-17/h7-10,17,26H,2-6,11-14H2,1H3
InChIKeyWYIMIURWGOVJQM-UHFFFAOYSA-N
XLogP2.87
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110569785
1-cyclohexyl-3-(4-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110543928
3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrole-2,5-dione
CID 46139050
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 15006064
1-cycloheptyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546790
3-[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-cyclohexyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione
CID 3422784
3-(4-chlorophenyl)-1-cycloheptyl-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569820
N-[4-(1-cyclohexyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562792
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568304
3-(4-chlorophenyl)-1-cyclooctyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110569852

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione (CID 46138978) is 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione is Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is WYIMIURWGOVJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-15-19(23(31)29(26-15)18-9-7-16(25)8-10-18)20-21(27-11-13-33-14-12-27)24(32)28(22(20)30)17-5-3-2-4-6-17/h7-10,17,26H,2-6,11-14H2,1H3.
What are the key properties of 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione?
3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 470.96 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 46138978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).