3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one

C11H19N3O — CID 79078086

IUPAC3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccnn1C
InChIInChI=1S/C11H19N3O/c1-4-14(5-2)9-7-11(15)10-6-8-12-13(10)3/h6,8H,4-5,7,9H2,1-3H3
InChIKeyKQPPXYIQODZHJW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds6

About 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one

3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 79078086) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID79078086
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1ccnn1C
InChIInChI=1S/C11H19N3O/c1-4-14(5-2)9-7-11(15)10-6-8-12-13(10)3/h6,8H,4-5,7,9H2,1-3H3
InChIKeyKQPPXYIQODZHJW-UHFFFAOYSA-N
XLogP1.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one (CID 79078086) is 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one is CCN(CC)CCC(=O)c1ccnn1C.
What is the InChIKey of 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is KQPPXYIQODZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14(5-2)9-7-11(15)10-6-8-12-13(10)3/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one?
3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 79078086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).