2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

C15H20N4O4 — CID 90622210

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C15H20N4O4/c20-13(10-19-14(21)1-2-15(19)22)17-12-7-16-18(9-12)8-11-3-5-23-6-4-11/h7,9,11H,1-6,8,10H2,(H,17,20)
InChIKeyXTFHBNDZMWUJBJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.40
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 90622210) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID90622210
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C15H20N4O4/c20-13(10-19-14(21)1-2-15(19)22)17-12-7-16-18(9-12)8-11-3-5-23-6-4-11/h7,9,11H,1-6,8,10H2,(H,17,20)
InChIKeyXTFHBNDZMWUJBJ-UHFFFAOYSA-N
XLogP0.40
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 124670470
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
5-(dithiolan-3-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pentanamide
CID 90622301
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
(2R)-2-acetamido-4-methylsulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 124670488

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (CID 90622210) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is O=C(CN1C(=O)CCC1=O)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is XTFHBNDZMWUJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-13(10-19-14(21)1-2-15(19)22)17-12-7-16-18(9-12)8-11-3-5-23-6-4-11/h7,9,11H,1-6,8,10H2,(H,17,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 90622210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).