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

C17H17N3O4 — CID 5308120

IUPAC2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1
InChIInChI=1S/C17H17N3O4/c21-15(18-8-11-4-3-7-23-11)10-20-16-12-5-1-2-6-14(12)24-17(22)13(16)9-19-20/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,18,21)
InChIKeyRRFGOQCRZKOLDC-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.44
Rot. Bonds4

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

2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5308120) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5308120
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1
InChIInChI=1S/C17H17N3O4/c21-15(18-8-11-4-3-7-23-11)10-20-16-12-5-1-2-6-14(12)24-17(22)13(16)9-19-20/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,18,21)
InChIKeyRRFGOQCRZKOLDC-UHFFFAOYSA-N
XLogP1.44
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propylacetamide
CID 91515379
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20873112
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
N-cyclohexyl-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propan-2-ylacetamide
CID 6622691
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20855538
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
3-(4-methylindazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 56686282
N-(3,4-dimethoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855479
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 5308120) is 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1.
What is the InChIKey of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RRFGOQCRZKOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15(18-8-11-4-3-7-23-11)10-20-16-12-5-1-2-6-14(12)24-17(22)13(16)9-19-20/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,18,21).
What are the key properties of 2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.44, 4 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5308120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).