5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one

C36H36N4O3 — CID 139839392

IUPAC5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one
SMILESCCCOc1ccc2ccccc2c1C(C1C(=O)N(c2ccccc2)N=C1CC)C1C(=O)N(c2ccccc2)N=C1CC
InChIInChI=1S/C36H36N4O3/c1-4-23-43-30-22-21-24-15-13-14-20-27(24)31(30)34(32-28(5-2)37-39(35(32)41)25-16-9-7-10-17-25)33-29(6-3)38-40(36(33)42)26-18-11-8-12-19-26/h7-22,32-34H,4-6,23H2,1-3H3
InChIKeyKNXYSWCYQVCGAQ-UHFFFAOYSA-N
MW572.71 g/mol
LogP7.57
Rot. Bonds10

About 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one

5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one (PubChem CID 139839392) has the molecular formula C36H36N4O3 and a molecular weight of 572.71 g/mol. Its IUPAC name is 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one
PubChem CID139839392
Molecular FormulaC36H36N4O3
Molecular Weight572.71 g/mol
Exact Mass572.28
IUPAC Name5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one
SMILESCCCOc1ccc2ccccc2c1C(C1C(=O)N(c2ccccc2)N=C1CC)C1C(=O)N(c2ccccc2)N=C1CC
InChIInChI=1S/C36H36N4O3/c1-4-23-43-30-22-21-24-15-13-14-20-27(24)31(30)34(32-28(5-2)37-39(35(32)41)25-16-9-7-10-17-25)33-29(6-3)38-40(36(33)42)26-18-11-8-12-19-26/h7-22,32-34H,4-6,23H2,1-3H3
InChIKeyKNXYSWCYQVCGAQ-UHFFFAOYSA-N
XLogP7.57
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(4-ethylphenyl)methyl]-2-phenyl-4H-pyrazol-3-one
CID 139839339
4-[(2,4-diethoxyphenyl)-[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-5-ethyl-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 139839322
1-ethyl-2-propoxynaphthalene
CID 129259410
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
(4R)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577604
2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
CID 82263109
1-methylsulfanyl-2-propoxynaphthalene
CID 91657285
5-methyl-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]-(3-propoxyphenyl)methyl]-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 139839355
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
3-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)propan-1-ol
CID 82263112
1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
4-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenylpyrazol-3-one
CID 43835440

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one (CID 139839392) is 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one is CCCOc1ccc2ccccc2c1C(C1C(=O)N(c2ccccc2)N=C1CC)C1C(=O)N(c2ccccc2)N=C1CC.
What is the InChIKey of 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one?
The InChIKey is KNXYSWCYQVCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O3/c1-4-23-43-30-22-21-24-15-13-14-20-27(24)31(30)34(32-28(5-2)37-39(35(32)41)25-16-9-7-10-17-25)33-29(6-3)38-40(36(33)42)26-18-11-8-12-19-26/h7-22,32-34H,4-6,23H2,1-3H3.
What are the key properties of 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one?
5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one has a molecular weight of 572.71 g/mol, XLogP of 7.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-(2-propoxynaphthalen-1-yl)methyl]-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 139839392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).