1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone

C19H24N2O3 — CID 2962051

IUPAC1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C19H24N2O3/c1-12-19(14(3)22)13(2)21(20-12)10-17(23)11-24-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,23H,4-6,10-11H2,1-3H3
InChIKeyJNWKHNANKUHZDT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.63
Rot. Bonds6

About 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone

1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 2962051) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID2962051
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C
InChIInChI=1S/C19H24N2O3/c1-12-19(14(3)22)13(2)21(20-12)10-17(23)11-24-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,23H,4-6,10-11H2,1-3H3
InChIKeyJNWKHNANKUHZDT-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone (CID 2962051) is 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C.
What is the InChIKey of 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is JNWKHNANKUHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-19(14(3)22)13(2)21(20-12)10-17(23)11-24-18-8-7-15-5-4-6-16(15)9-18/h7-9,17,23H,4-6,10-11H2,1-3H3.
What are the key properties of 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone?
1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 2962051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).