1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol

C17H22N2O — CID 64785216

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCCC(C)n1ccc(CC2(O)CCc3ccccc32)n1
InChIInChI=1S/C17H22N2O/c1-3-13(2)19-11-9-15(18-19)12-17(20)10-8-14-6-4-5-7-16(14)17/h4-7,9,11,13,20H,3,8,10,12H2,1-2H3
InChIKeyQIMJTDKUFCXMBJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.23
Rot. Bonds4

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 64785216) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID64785216
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCCC(C)n1ccc(CC2(O)CCc3ccccc32)n1
InChIInChI=1S/C17H22N2O/c1-3-13(2)19-11-9-15(18-19)12-17(20)10-8-14-6-4-5-7-16(14)17/h4-7,9,11,13,20H,3,8,10,12H2,1-2H3
InChIKeyQIMJTDKUFCXMBJ-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol 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 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol (CID 64785216) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol is CCC(C)n1ccc(CC2(O)CCc3ccccc32)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is QIMJTDKUFCXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-13(2)19-11-9-15(18-19)12-17(20)10-8-14-6-4-5-7-16(14)17/h4-7,9,11,13,20H,3,8,10,12H2,1-2H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 270.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 64785216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).