1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone

C11H17N3O — CID 116601394

IUPAC1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2(CN)CC2)cn1
InChIInChI=1S/C11H17N3O/c1-2-14-7-9(6-13-14)5-10(15)11(8-12)3-4-11/h6-7H,2-5,8,12H2,1H3
InChIKeyZDJWNEYWLHZPMU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.75
Rot. Bonds5

About 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone

1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 116601394) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID116601394
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2(CN)CC2)cn1
InChIInChI=1S/C11H17N3O/c1-2-14-7-9(6-13-14)5-10(15)11(8-12)3-4-11/h6-7H,2-5,8,12H2,1H3
InChIKeyZDJWNEYWLHZPMU-UHFFFAOYSA-N
XLogP0.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116604756
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79058765
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-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116589294
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
CID 107062385

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone (CID 116601394) is 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)C2(CN)CC2)cn1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is ZDJWNEYWLHZPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-7-9(6-13-14)5-10(15)11(8-12)3-4-11/h6-7H,2-5,8,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone?
1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116601394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).