2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

C14H22BrN3O2 — CID 116588170

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C14H22BrN3O2/c1-4-10-14(15)12(18(3)17-10)6-13(19)9-7-20-8-11(9)16-5-2/h9,11,16H,4-8H2,1-3H3
InChIKeyWZZWUVOBYSWYAK-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.48
Rot. Bonds6

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (PubChem CID 116588170) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
PubChem CID116588170
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1c(Br)c(CC)nn1C
InChIInChI=1S/C14H22BrN3O2/c1-4-10-14(15)12(18(3)17-10)6-13(19)9-7-20-8-11(9)16-5-2/h9,11,16H,4-8H2,1-3H3
InChIKeyWZZWUVOBYSWYAK-UHFFFAOYSA-N
XLogP1.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587915
1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116588070
1-[2-(aminomethyl)cyclopentyl]-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116584424
2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588148
1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116588030
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187109
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107187107
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116580904
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-5-(methylamino)pentan-2-one
CID 116555735
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
N-(2,5-dimethylpyrazol-3-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258072
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-hydroxybutan-2-one
CID 103451555

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (CID 116588170) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is CCNC1COCC1C(=O)Cc1c(Br)c(CC)nn1C.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The InChIKey is WZZWUVOBYSWYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-10-14(15)12(18(3)17-10)6-13(19)9-7-20-8-11(9)16-5-2/h9,11,16H,4-8H2,1-3H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone has a molecular weight of 344.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116588170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).