1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C14H23N3O2 — CID 116588030

IUPAC1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCNC1COCC1C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-4-15-13-9-19-8-12(13)14(18)7-11-5-6-17(16-11)10(2)3/h5-6,10,12-13,15H,4,7-9H2,1-3H3
InChIKeyDXRZAEKGMIZTOI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.20
Rot. Bonds6

About 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 116588030) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID116588030
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCNC1COCC1C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-4-15-13-9-19-8-12(13)14(18)7-11-5-6-17(16-11)10(2)3/h5-6,10,12-13,15H,4,7-9H2,1-3H3
InChIKeyDXRZAEKGMIZTOI-UHFFFAOYSA-N
XLogP1.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588170
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106105001
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116575965
1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116568846
2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588148
2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588089
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 116588030) is 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CCNC1COCC1C(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is DXRZAEKGMIZTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-15-13-9-19-8-12(13)14(18)7-11-5-6-17(16-11)10(2)3/h5-6,10,12-13,15H,4,7-9H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116588030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).