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

C19H20N4O4 — CID 5309822

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O
InChIInChI=1S/C19H20N4O4/c24-16(20-8-4-10-22-9-3-7-17(22)25)12-23-18-13-5-1-2-6-15(13)27-19(26)14(18)11-21-23/h1-2,5-6,11H,3-4,7-10,12H2,(H,20,24)
InChIKeyXYFMSRDWIRBXTO-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.27
Rot. Bonds6

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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 5309822) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID5309822
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O
InChIInChI=1S/C19H20N4O4/c24-16(20-8-4-10-22-9-3-7-17(22)25)12-23-18-13-5-1-2-6-15(13)27-19(26)14(18)11-21-23/h1-2,5-6,11H,3-4,7-10,12H2,(H,20,24)
InChIKeyXYFMSRDWIRBXTO-UHFFFAOYSA-N
XLogP1.27
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.27
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-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 5309822) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCCN1CCCC1=O.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is XYFMSRDWIRBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-16(20-8-4-10-22-9-3-7-17(22)25)12-23-18-13-5-1-2-6-15(13)27-19(26)14(18)11-21-23/h1-2,5-6,11H,3-4,7-10,12H2,(H,20,24).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 5309822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).