4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione

C14H14N4O2 — CID 62128305

IUPAC4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione
SMILESCCn1cc(CN2C(=O)c3cccc(N)c3C2=O)cn1
InChIInChI=1S/C14H14N4O2/c1-2-17-7-9(6-16-17)8-18-13(19)10-4-3-5-11(15)12(10)14(18)20/h3-7H,2,8,15H2,1H3
InChIKeyUMBHNTLJWVMOTD-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.28
Rot. Bonds3

About 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione

4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione (PubChem CID 62128305) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione
PubChem CID62128305
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione
SMILESCCn1cc(CN2C(=O)c3cccc(N)c3C2=O)cn1
InChIInChI=1S/C14H14N4O2/c1-2-17-7-9(6-16-17)8-18-13(19)10-4-3-5-11(15)12(10)14(18)20/h3-7H,2,8,15H2,1H3
InChIKeyUMBHNTLJWVMOTD-UHFFFAOYSA-N
XLogP1.28
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
4-amino-2-[(3-methyl-4-pyridinyl)methyl]isoindole-1,3-dione
CID 114700741
4-amino-2-[(3-fluoro-4-methylphenyl)methyl]isoindole-1,3-dione
CID 63644863
4-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202777
4-amino-2-[(3-aminothiophen-2-yl)methyl]isoindole-1,3-dione
CID 66386937
4-amino-2-[(3-bromo-4-hydroxyphenyl)methyl]isoindole-1,3-dione
CID 63046235
4-amino-2-[(5-chloro-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione
CID 107123930
1-[(1-ethylpyrazol-4-yl)methyl]-4,6-difluoroindole-2,3-dione
CID 62126742
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
1-[(1-ethylpyrazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017900
4-amino-2-[(5-chlorothiophen-2-yl)methyl]isoindole-1,3-dione
CID 18072803
(5E)-3-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19288335

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione (CID 62128305) is 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione is CCn1cc(CN2C(=O)c3cccc(N)c3C2=O)cn1.
What is the InChIKey of 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is UMBHNTLJWVMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-17-7-9(6-16-17)8-18-13(19)10-4-3-5-11(15)12(10)14(18)20/h3-7H,2,8,15H2,1H3.
What are the key properties of 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione?
4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 270.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(1-ethylpyrazol-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 62128305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).