N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C17H18N4O3 — CID 78778329

IUPACN-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(C)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N4O3/c1-3-11(2)21-14(8-9-18-21)19-15(22)10-20-16(23)12-6-4-5-7-13(12)17(20)24/h4-9,11H,3,10H2,1-2H3,(H,19,22)
InChIKeyZYLMXBULUMIBKA-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.09
Rot. Bonds5

About N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 78778329) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID78778329
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCCC(C)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H18N4O3/c1-3-11(2)21-14(8-9-18-21)19-15(22)10-20-16(23)12-6-4-5-7-13(12)17(20)24/h4-9,11H,3,10H2,1-2H3,(H,19,22)
InChIKeyZYLMXBULUMIBKA-UHFFFAOYSA-N
XLogP2.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
N-(2-butan-2-ylpyrazol-3-yl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 46990812
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
CID 95615142
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propanoate
CID 19166860
2-(2-oxo-1-pyridinyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47106513

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 78778329) is N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CCC(C)n1nccc1NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is ZYLMXBULUMIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-11(2)21-14(8-9-18-21)19-15(22)10-20-16(23)12-6-4-5-7-13(12)17(20)24/h4-9,11H,3,10H2,1-2H3,(H,19,22).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 78778329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).