2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide

C30H27N3O4 — CID 2345722

IUPAC2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide
SMILESCCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34)
InChIKeyZVSKRYAWXGFMSC-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.84
Rot. Bonds7

About 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide

2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide (PubChem CID 2345722) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide
PubChem CID2345722
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC Name2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide
SMILESCCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34)
InChIKeyZVSKRYAWXGFMSC-UHFFFAOYSA-N
XLogP5.84
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide 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

7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-chromen-4-one
CID 5407918
3-(2-fluorophenoxy)-2-methyl-7-[(1-phenyl-1H-pyrazol-4-yl)methoxy]-4H-chromen-4-one
CID 980571
1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692803
7-methoxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 786636
8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one
CID 1324165
methyl 4-({4-oxo-7-[(1-phenyl-1H-pyrazol-4-yl)methoxy]-4H-chromen-3-yl}oxy)benzoate
CID 1325433
6-ethyl-7-hydroxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1337533
N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2398145
N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2708937
6-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 3242993
7-hydroxy-2,8-dimethyl-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 5408594
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 16325700

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide (CID 2345722) is 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide is CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is ZVSKRYAWXGFMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34).
What are the key properties of 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide?
2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 493.56 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2345722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).