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

C10H16N2O2 — CID 22966458

IUPAC1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C)c1CC(C)O
InChIInChI=1S/C10H16N2O2/c1-6(13)5-9-10(8(3)14)7(2)11-12(9)4/h6,13H,5H2,1-4H3
InChIKeyDWAVZMGIQMPJEJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.85
Rot. Bonds3

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

1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone (PubChem CID 22966458) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone
PubChem CID22966458
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C)c1CC(C)O
InChIInChI=1S/C10H16N2O2/c1-6(13)5-9-10(8(3)14)7(2)11-12(9)4/h6,13H,5H2,1-4H3
InChIKeyDWAVZMGIQMPJEJ-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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Related Compounds

3-Fluoro-1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-one
CID 178046633
1-[3-(2-Hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone
CID 22966457
3-(4-Acetyl-3,5-diethylpyrazol-1-yl)butanoic acid
CID 67450994
2-Hydroxy-1-(2,4,5-trimethylpyrazol-3-yl)ethanone
CID 67701295
1-[3-(2-Hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone;1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone
CID 91090270
1-[3-(2-Hydroxypropyl)-1,5-dimethylpyrazol-4-yl]ethanone;1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone;methane
CID 160104160
1-[4-(2-Hydroxyethyl)-1,5-dimethyl-3-pyrazolyl]-2,2-dimethyl-1-propanone
CID 171065732
1-[4-(2-Hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone
CID 176752245
Ethane;(3-hydroxycyclobutyl)-(1,4,5-trimethylpyrazol-3-yl)methanone
CID 178168732
Ethyl 5-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate
CID 12520026
Ethyl 5-(2-hydroxypropyl)-1,3-dimethylpyrazole-4-carboxylate
CID 12520027
Ethyl 3-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxylate
CID 12520030

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone (CID 22966458) is 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(C)c1CC(C)O.
What is the InChIKey of 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone?
The InChIKey is DWAVZMGIQMPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(13)5-9-10(8(3)14)7(2)11-12(9)4/h6,13H,5H2,1-4H3.
What are the key properties of 1-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone?
1-[5-(2-hydroxypropyl)-1,3-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-[5-(2-hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 22966458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).