2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone

C16H25N3O2 — CID 79058765

IUPAC2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCCn1cc(CC(=O)C2(N3CCOCC3)CCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-2-19-13-14(12-17-19)11-15(20)16(5-3-4-6-16)18-7-9-21-10-8-18/h12-13H,2-11H2,1H3
InChIKeyHVNOMVRQWRLNQM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.66
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone

2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone (PubChem CID 79058765) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
PubChem CID79058765
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCCn1cc(CC(=O)C2(N3CCOCC3)CCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-2-19-13-14(12-17-19)11-15(20)16(5-3-4-6-16)18-7-9-21-10-8-18/h12-13H,2-11H2,1H3
InChIKeyHVNOMVRQWRLNQM-UHFFFAOYSA-N
XLogP1.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminooxan-4-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116604756
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116601394
2-(5-ethylthiophen-2-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79059531
1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825005
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569829
(4-bromo-1-ethylpyrazol-5-yl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 114641249
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one
CID 79179560
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone (CID 79058765) is 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone is CCn1cc(CC(=O)C2(N3CCOCC3)CCCC2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
The InChIKey is HVNOMVRQWRLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-19-13-14(12-17-19)11-15(20)16(5-3-4-6-16)18-7-9-21-10-8-18/h12-13H,2-11H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone?
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone is sourced from PubChem (CID 79058765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).