N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide

C23H21N3O4 — CID 46616354

IUPACN-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCc1ccc(Cn2nccc2NC(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-16-3-5-17(6-4-16)14-26-21(11-12-24-26)25-22(27)15-29-19-9-7-18-8-10-23(28)30-20(18)13-19/h3-13H,2,14-15H2,1H3,(H,25,27)
InChIKeyXSOLMIVJIAMSST-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 46616354) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID46616354
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCc1ccc(Cn2nccc2NC(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-16-3-5-17(6-4-16)14-26-21(11-12-24-26)25-22(27)15-29-19-9-7-18-8-10-23(28)30-20(18)13-19/h3-13H,2,14-15H2,1H3,(H,25,27)
InChIKeyXSOLMIVJIAMSST-UHFFFAOYSA-N
XLogP3.62
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26881258
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2519147
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 46616354) is N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide is CCc1ccc(Cn2nccc2NC(=O)COc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is XSOLMIVJIAMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-2-16-3-5-17(6-4-16)14-26-21(11-12-24-26)25-22(27)15-29-19-9-7-18-8-10-23(28)30-20(18)13-19/h3-13H,2,14-15H2,1H3,(H,25,27).
What are the key properties of N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 46616354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).