N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

C19H15N3O4 — CID 5144647

IUPACN-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1
InChIInChI=1S/C19H15N3O4/c1-25-13-6-4-5-12(9-13)21-17(23)11-22-18-14-7-2-3-8-16(14)26-19(24)15(18)10-20-22/h2-10H,11H2,1H3,(H,21,23)
InChIKeyCXGIATNBABHNPG-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.79
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide

N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5144647) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5144647
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1
InChIInChI=1S/C19H15N3O4/c1-25-13-6-4-5-12(9-13)21-17(23)11-22-18-14-7-2-3-8-16(14)26-19(24)15(18)10-20-22/h2-10H,11H2,1H3,(H,21,23)
InChIKeyCXGIATNBABHNPG-UHFFFAOYSA-N
XLogP2.79
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5144647) is N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is COc1cccc(NC(=O)Cn2ncc3c(=O)oc4ccccc4c32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is CXGIATNBABHNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-25-13-6-4-5-12(9-13)21-17(23)11-22-18-14-7-2-3-8-16(14)26-19(24)15(18)10-20-22/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 349.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5144647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).