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

C11H18N2O — CID 115793089

IUPAC3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H18N2O/c1-4-9(5-2)11(14)8-10-6-7-13(3)12-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRIOUUWZTLIUWFR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.97
Rot. Bonds5

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

3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one (PubChem CID 115793089) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
PubChem CID115793089
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H18N2O/c1-4-9(5-2)11(14)8-10-6-7-13(3)12-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRIOUUWZTLIUWFR-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
CID 116609043
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-one
CID 115793060
1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
CID 103458285
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
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
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
2-bromo-1-(1-methylpyrazol-3-yl)hexan-3-one
CID 79786022

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one?
The IUPAC name of 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one (CID 115793089) is 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one is CCC(CC)C(=O)Cc1ccn(C)n1.
What is the InChIKey of 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one?
The InChIKey is RIOUUWZTLIUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9(5-2)11(14)8-10-6-7-13(3)12-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one?
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one is sourced from PubChem (CID 115793089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).