1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone

C10H16N2O3 — CID 176752245

IUPAC1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone
SMILESCOCC(=O)c1nn(C)c(C)c1CCO
InChIInChI=1S/C10H16N2O3/c1-7-8(4-5-13)10(11-12(7)2)9(14)6-15-3/h13H,4-6H2,1-3H3
InChIKeyLIZRCWBDCSKWBM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.09
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone

1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone (PubChem CID 176752245) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone
PubChem CID176752245
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone
SMILESCOCC(=O)c1nn(C)c(C)c1CCO
InChIInChI=1S/C10H16N2O3/c1-7-8(4-5-13)10(11-12(7)2)9(14)6-15-3/h13H,4-6H2,1-3H3
InChIKeyLIZRCWBDCSKWBM-UHFFFAOYSA-N
XLogP0.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-one
CID 178046623
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
1-[5-(2-Hydroxypropyl)-1,3-dimethylpyrazol-4-yl]ethanone
CID 22966458
2-Hydroxy-1-(2,4,5-trimethylpyrazol-3-yl)ethanone
CID 67701295
2-Hydroxy-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanone
CID 137437021
4,5-Bis(2-methoxyethyl)-2-methylpyrazole-3-carboxamide
CID 149882300
Methyl 4-(3-hydroxypropyl)-1,5-dimethylpyrazole-3-carboxylate
CID 163722890
1-[4-(2-Hydroxyethyl)-1,5-dimethyl-3-pyrazolyl]-2,2-dimethyl-1-propanone
CID 171065732
1-Bicyclo[1.1.1]pentanyl-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]methanone
CID 178046440
[4-(2-Hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-(1-methylcyclobutyl)methanone
CID 178046566
Ethane;(3-hydroxycyclobutyl)-(1,4,5-trimethylpyrazol-3-yl)methanone
CID 178168732

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone (CID 176752245) is 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone is COCC(=O)c1nn(C)c(C)c1CCO.
What is the InChIKey of 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone?
The InChIKey is LIZRCWBDCSKWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-8(4-5-13)10(11-12(7)2)9(14)6-15-3/h13H,4-6H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone?
1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone has a molecular weight of 212.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)-1,5-dimethylpyrazol-3-yl]-2-methoxyethanone is sourced from PubChem (CID 176752245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).