1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone

C10H16N2O2 — CID 22966457

IUPAC1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(CC(C)O)nn(C)c1C
InChIInChI=1S/C10H16N2O2/c1-6(13)5-9-10(8(3)14)7(2)12(4)11-9/h6,13H,5H2,1-4H3
InChIKeyMEBUXUZJIWMNCD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.85
Rot. Bonds3

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

1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 22966457) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone
PubChem CID22966457
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(CC(C)O)nn(C)c1C
InChIInChI=1S/C10H16N2O2/c1-6(13)5-9-10(8(3)14)7(2)12(4)11-9/h6,13H,5H2,1-4H3
InChIKeyMEBUXUZJIWMNCD-UHFFFAOYSA-N
XLogP0.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone (CID 22966457) is 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone is CC(=O)c1c(CC(C)O)nn(C)c1C.
What is the InChIKey of 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is MEBUXUZJIWMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(13)5-9-10(8(3)14)7(2)12(4)11-9/h6,13H,5H2,1-4H3.
What are the key properties of 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone?
1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 196.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 22966457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).