4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one

C11H19N3O — CID 116565256

IUPAC4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
SMILESCCNCC(C)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H19N3O/c1-4-12-8-9(2)11(15)7-10-5-6-14(3)13-10/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyMWNTUZUOJLYPFJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds6

About 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one

4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one (PubChem CID 116565256) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
PubChem CID116565256
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
SMILESCCNCC(C)C(=O)Cc1ccn(C)n1
InChIInChI=1S/C11H19N3O/c1-4-12-8-9(2)11(15)7-10-5-6-14(3)13-10/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyMWNTUZUOJLYPFJ-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-one
CID 115793060
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
CID 103458285
1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 116556161
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
CID 116609043

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one (CID 116565256) is 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one is CCNCC(C)C(=O)Cc1ccn(C)n1.
What is the InChIKey of 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one?
The InChIKey is MWNTUZUOJLYPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-12-8-9(2)11(15)7-10-5-6-14(3)13-10/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one?
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 116565256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).