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

C17H19N3O4 — CID 5307334

IUPACN-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C17H19N3O4/c1-2-23-9-5-8-18-15(21)11-20-16-12-6-3-4-7-14(12)24-17(22)13(16)10-19-20/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,21)
InChIKeyCCMDXEKUISYREW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.69
Rot. Bonds7

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

N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (PubChem CID 5307334) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
PubChem CID5307334
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
SMILESCCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C17H19N3O4/c1-2-23-9-5-8-18-15(21)11-20-16-12-6-3-4-7-14(12)24-17(22)13(16)10-19-20/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,21)
InChIKeyCCMDXEKUISYREW-UHFFFAOYSA-N
XLogP1.69
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide (CID 5307334) is N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is CCOCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
The InChIKey is CCMDXEKUISYREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-23-9-5-8-18-15(21)11-20-16-12-6-3-4-7-14(12)24-17(22)13(16)10-19-20/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide?
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide is sourced from PubChem (CID 5307334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).