2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

C14H14N4O2 — CID 171706120

IUPAC2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc3c(c2)CNC3=O)cn1
InChIInChI=1S/C14H14N4O2/c1-18-8-9(6-16-18)4-13(19)17-11-2-3-12-10(5-11)7-15-14(12)20/h2-3,5-6,8H,4,7H2,1H3,(H,15,20)(H,17,19)
InChIKeyGFNIEBLSBOSGDR-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.84
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide

2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide (PubChem CID 171706120) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
PubChem CID171706120
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc3c(c2)CNC3=O)cn1
InChIInChI=1S/C14H14N4O2/c1-18-8-9(6-16-18)4-13(19)17-11-2-3-12-10(5-11)7-15-14(12)20/h2-3,5-6,8H,4,7H2,1H3,(H,15,20)(H,17,19)
InChIKeyGFNIEBLSBOSGDR-UHFFFAOYSA-N
XLogP0.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide (CID 171706120) is 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide is Cn1cc(CC(=O)Nc2ccc3c(c2)CNC3=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
The InChIKey is GFNIEBLSBOSGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-8-9(6-16-18)4-13(19)17-11-2-3-12-10(5-11)7-15-14(12)20/h2-3,5-6,8H,4,7H2,1H3,(H,15,20)(H,17,19).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide?
2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(1-oxo-2,3-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 171706120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).