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

C19H23N3O4 — CID 5307174

IUPAC2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)NCCCOC(C)C)c3c2c1
InChIInChI=1S/C19H23N3O4/c1-12(2)25-8-4-7-20-17(23)11-22-18-14-9-13(3)5-6-16(14)26-19(24)15(18)10-21-22/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,20,23)
InChIKeyZEOWTXXHKVZLIU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.38
Rot. Bonds7

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

2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 5307174) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID5307174
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)NCCCOC(C)C)c3c2c1
InChIInChI=1S/C19H23N3O4/c1-12(2)25-8-4-7-20-17(23)11-22-18-14-9-13(3)5-6-16(14)26-19(24)15(18)10-21-22/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,20,23)
InChIKeyZEOWTXXHKVZLIU-UHFFFAOYSA-N
XLogP2.38
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.38
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 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 5307174) is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is Cc1ccc2oc(=O)c3cnn(CC(=O)NCCCOC(C)C)c3c2c1.
What is the InChIKey of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ZEOWTXXHKVZLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)25-8-4-7-20-17(23)11-22-18-14-9-13(3)5-6-16(14)26-19(24)15(18)10-21-22/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 5307174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).