2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine

C17H24N4 — CID 64785940

IUPAC2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCCC(CC)n1ccc(CN2Cc3cccc(N)c3C2)n1
InChIInChI=1S/C17H24N4/c1-3-15(4-2)21-9-8-14(19-21)11-20-10-13-6-5-7-17(18)16(13)12-20/h5-9,15H,3-4,10-12,18H2,1-2H3
InChIKeyWXRKIKFTHPGVLO-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.34
Rot. Bonds5

About 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine

2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine (PubChem CID 64785940) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine
PubChem CID64785940
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine
SMILESCCC(CC)n1ccc(CN2Cc3cccc(N)c3C2)n1
InChIInChI=1S/C17H24N4/c1-3-15(4-2)21-9-8-14(19-21)11-20-10-13-6-5-7-17(18)16(13)12-20/h5-9,15H,3-4,10-12,18H2,1-2H3
InChIKeyWXRKIKFTHPGVLO-UHFFFAOYSA-N
XLogP3.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine (CID 64785940) is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine is CCC(CC)n1ccc(CN2Cc3cccc(N)c3C2)n1.
What is the InChIKey of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is WXRKIKFTHPGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-15(4-2)21-9-8-14(19-21)11-20-10-13-6-5-7-17(18)16(13)12-20/h5-9,15H,3-4,10-12,18H2,1-2H3.
What are the key properties of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine?
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 64785940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).