1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

C18H24N2O2 — CID 2981604

IUPAC1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1C
InChIInChI=1S/C18H24N2O2/c1-12-13(2)19-20(14(12)3)10-17(21)11-22-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,21H,4-6,10-11H2,1-3H3
InChIKeyOYIKJYAVINJMNP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.74
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol

1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (PubChem CID 2981604) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
PubChem CID2981604
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1C
InChIInChI=1S/C18H24N2O2/c1-12-13(2)19-20(14(12)3)10-17(21)11-22-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,21H,4-6,10-11H2,1-3H3
InChIKeyOYIKJYAVINJMNP-UHFFFAOYSA-N
XLogP2.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-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-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol (CID 2981604) is 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is Cc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is OYIKJYAVINJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-13(2)19-20(14(12)3)10-17(21)11-22-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,21H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 300.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 2981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).