3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one

C11H18N2O2 — CID 116707579

IUPAC3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
SMILESCCOC(CC)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H18N2O2/c1-4-11(15-5-2)10(14)8-9-6-7-13(3)12-9/h6-7,11H,4-5,8H2,1-3H3
InChIKeyHVQMMKNCCYHMSE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.35
Rot. Bonds6

About 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one

3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one (PubChem CID 116707579) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
PubChem CID116707579
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
SMILESCCOC(CC)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H18N2O2/c1-4-11(15-5-2)10(14)8-9-6-7-13(3)12-9/h6-7,11H,4-5,8H2,1-3H3
InChIKeyHVQMMKNCCYHMSE-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxyhexan-2-one
CID 116707987
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
CID 116609043
1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-one
CID 115793060
1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
CID 103458285
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
CID 116707502
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 116556161

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one (CID 116707579) is 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one is CCOC(CC)C(=O)Cc1ccn(C)n1.
What is the InChIKey of 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one?
The InChIKey is HVQMMKNCCYHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-11(15-5-2)10(14)8-9-6-7-13(3)12-9/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one?
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 116707579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).