1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone

C10H15N3O — CID 116576739

IUPAC1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2(N)CC2)cn1
InChIInChI=1S/C10H15N3O/c1-2-13-7-8(6-12-13)5-9(14)10(11)3-4-10/h6-7H,2-5,11H2,1H3
InChIKeyIVOGEWGFAPHQHC-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.51
Rot. Bonds4

About 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone

1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 116576739) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID116576739
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2(N)CC2)cn1
InChIInChI=1S/C10H15N3O/c1-2-13-7-8(6-12-13)5-9(14)10(11)3-4-10/h6-7H,2-5,11H2,1H3
InChIKeyIVOGEWGFAPHQHC-UHFFFAOYSA-N
XLogP0.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116604756
1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116601394
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
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2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
2-(1-ethylpyrazol-4-yl)-1-(3-methyl-1-adamantyl)ethanone
CID 114965340
(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-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
2-(1-ethylpyrazol-4-yl)-1-(thian-2-yl)ethanone
CID 80623009

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 116576739) is 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)C2(N)CC2)cn1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is IVOGEWGFAPHQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-13-7-8(6-12-13)5-9(14)10(11)3-4-10/h6-7H,2-5,11H2,1H3.
What are the key properties of 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116576739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).