1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one

C10H17N3O — CID 116562677

IUPAC1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCNCC(=O)Cc1cnn(CC)c1
InChIInChI=1S/C10H17N3O/c1-3-11-7-10(14)5-9-6-12-13(4-2)8-9/h6,8,11H,3-5,7H2,1-2H3
InChIKeyOAMCOXYVAKORDL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.62
Rot. Bonds6

About 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one

1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one (PubChem CID 116562677) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
PubChem CID116562677
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCNCC(=O)Cc1cnn(CC)c1
InChIInChI=1S/C10H17N3O/c1-3-11-7-10(14)5-9-6-12-13(4-2)8-9/h6,8,11H,3-5,7H2,1-2H3
InChIKeyOAMCOXYVAKORDL-UHFFFAOYSA-N
XLogP0.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116556301
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
1-(1-ethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103213962
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 114965405
1-(1-ethylpyrazol-4-yl)-4-phenoxybutan-2-one
CID 62125896
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
CID 105084640

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one (CID 116562677) is 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one is CCNCC(=O)Cc1cnn(CC)c1.
What is the InChIKey of 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
The InChIKey is OAMCOXYVAKORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-11-7-10(14)5-9-6-12-13(4-2)8-9/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one?
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116562677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).