N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C23H23N3O3 — CID 20867891

IUPACN-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCc1ccccc1N(CC)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
InChIInChI=1S/C23H23N3O3/c1-4-16-8-6-7-9-19(16)25(5-2)21(27)14-26-22-17-12-15(3)10-11-20(17)29-23(28)18(22)13-24-26/h6-13H,4-5,14H2,1-3H3
InChIKeyCMNQDSOGHFTTPV-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.07
Rot. Bonds5

About N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 20867891) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID20867891
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCc1ccccc1N(CC)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
InChIInChI=1S/C23H23N3O3/c1-4-16-8-6-7-9-19(16)25(5-2)21(27)14-26-22-17-12-15(3)10-11-20(17)29-23(28)18(22)13-24-26/h6-13H,4-5,14H2,1-3H3
InChIKeyCMNQDSOGHFTTPV-UHFFFAOYSA-N
XLogP4.07
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 20867891) is N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is CCc1ccccc1N(CC)C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21.
What is the InChIKey of N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is CMNQDSOGHFTTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-16-8-6-7-9-19(16)25(5-2)21(27)14-26-22-17-12-15(3)10-11-20(17)29-23(28)18(22)13-24-26/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 20867891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).