5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione

C14H14N4O2 — CID 103569190

IUPAC5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione
SMILESCCn1cc(CNc2ccc3c(c2)C(=O)NC3=O)cn1
InChIInChI=1S/C14H14N4O2/c1-2-18-8-9(7-16-18)6-15-10-3-4-11-12(5-10)14(20)17-13(11)19/h3-5,7-8,15H,2,6H2,1H3,(H,17,19,20)
InChIKeyUNUIFPPFCRPHQF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.40
Rot. Bonds4

About 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione

5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione (PubChem CID 103569190) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione
PubChem CID103569190
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione
SMILESCCn1cc(CNc2ccc3c(c2)C(=O)NC3=O)cn1
InChIInChI=1S/C14H14N4O2/c1-2-18-8-9(7-16-18)6-15-10-3-4-11-12(5-10)14(20)17-13(11)19/h3-5,7-8,15H,2,6H2,1H3,(H,17,19,20)
InChIKeyUNUIFPPFCRPHQF-UHFFFAOYSA-N
XLogP1.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-methylpyrazol-4-yl)methylamino]isoindole-1,3-dione
CID 28600473
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
N-[(1-ethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103569272
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
5-N-[(1-ethylpyrazol-4-yl)methyl]-2-N,2-N-dimethyl-3H-benzimidazole-2,5-diamine
CID 126820486
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione?
The IUPAC name of 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione (CID 103569190) is 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione?
The canonical SMILES for 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione is CCn1cc(CNc2ccc3c(c2)C(=O)NC3=O)cn1.
What is the InChIKey of 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione?
The InChIKey is UNUIFPPFCRPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-18-8-9(7-16-18)6-15-10-3-4-11-12(5-10)14(20)17-13(11)19/h3-5,7-8,15H,2,6H2,1H3,(H,17,19,20).
What are the key properties of 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione?
5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione has a molecular weight of 270.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrazol-4-yl)methylamino]isoindole-1,3-dione is sourced from PubChem (CID 103569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).