[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine

C17H23N3 — CID 65408274

IUPAC[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine
SMILESCC(C)n1ccc(CC2(CN)Cc3ccccc3C2)n1
InChIInChI=1S/C17H23N3/c1-13(2)20-8-7-16(19-20)11-17(12-18)9-14-5-3-4-6-15(14)10-17/h3-8,13H,9-12,18H2,1-2H3
InChIKeySLCQSYLPJWWCFA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.75
Rot. Bonds4

About [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine

[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine (PubChem CID 65408274) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine
PubChem CID65408274
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine
SMILESCC(C)n1ccc(CC2(CN)Cc3ccccc3C2)n1
InChIInChI=1S/C17H23N3/c1-13(2)20-8-7-16(19-20)11-17(12-18)9-14-5-3-4-6-15(14)10-17/h3-8,13H,9-12,18H2,1-2H3
InChIKeySLCQSYLPJWWCFA-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine 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-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine?
The IUPAC name of [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine (CID 65408274) is [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine.
What is the SMILES notation for [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine?
The canonical SMILES for [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine is CC(C)n1ccc(CC2(CN)Cc3ccccc3C2)n1.
What is the InChIKey of [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine?
The InChIKey is SLCQSYLPJWWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)20-8-7-16(19-20)11-17(12-18)9-14-5-3-4-6-15(14)10-17/h3-8,13H,9-12,18H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine?
[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine is sourced from PubChem (CID 65408274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).