1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one

C11H18N2O2 — CID 106677524

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
SMILESCCc1cc(CC(=O)CCCO)n(C)n1
InChIInChI=1S/C11H18N2O2/c1-3-9-7-10(13(2)12-9)8-11(15)5-4-6-14/h7,14H,3-6,8H2,1-2H3
InChIKeyQIIOHVJHTCTASY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.87
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one

1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one (PubChem CID 106677524) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
PubChem CID106677524
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
SMILESCCc1cc(CC(=O)CCCO)n(C)n1
InChIInChI=1S/C11H18N2O2/c1-3-9-7-10(13(2)12-9)8-11(15)5-4-6-14/h7,14H,3-6,8H2,1-2H3
InChIKeyQIIOHVJHTCTASY-UHFFFAOYSA-N
XLogP0.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
CID 105109905
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one (CID 106677524) is 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one is CCc1cc(CC(=O)CCCO)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one?
The InChIKey is QIIOHVJHTCTASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-9-7-10(13(2)12-9)8-11(15)5-4-6-14/h7,14H,3-6,8H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one?
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one is sourced from PubChem (CID 106677524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).