2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone

C14H22BrN3O2 — CID 116560553

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)C2CC(OC)CN2)c1Br
InChIInChI=1S/C14H22BrN3O2/c1-4-10-14(15)12(18(5-2)17-10)7-13(19)11-6-9(20-3)8-16-11/h9,11,16H,4-8H2,1-3H3
InChIKeyNRZYPPDYLXRUOY-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone (PubChem CID 116560553) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone
PubChem CID116560553
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)C2CC(OC)CN2)c1Br
InChIInChI=1S/C14H22BrN3O2/c1-4-10-14(15)12(18(5-2)17-10)7-13(19)11-6-9(20-3)8-16-11/h9,11,16H,4-8H2,1-3H3
InChIKeyNRZYPPDYLXRUOY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Bromo-1,3-dimethylpyrazol-5-yl)-5-methoxypentan-2-one
CID 65855579
1-(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)-5-methoxypentan-2-one
CID 65867877
1-(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
CID 65868251
2-(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(oxolan-2-yl)ethanone
CID 65870395
1-(4-Bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
CID 65886812
2-(4-Bromo-1,3-diethylpyrazol-5-yl)-1-(oxolan-2-yl)ethanone
CID 65887988
1-(4-Bromo-1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-one
CID 65888765
1-(4-Bromo-1,3-diethylpyrazol-5-yl)-5-methoxypentan-2-one
CID 65889541
1-(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)-5-methoxypentan-2-one
CID 65890331
1-(4-Bromo-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617012
2-(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79665147
2-(4-Bromo-1,3-dimethylpyrazol-5-yl)pyrrolidin-3-one
CID 83844255

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone (CID 116560553) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone is CCc1nn(CC)c(CC(=O)C2CC(OC)CN2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
The InChIKey is NRZYPPDYLXRUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-10-14(15)12(18(5-2)17-10)7-13(19)11-6-9(20-3)8-16-11/h9,11,16H,4-8H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone has a molecular weight of 344.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-methoxypyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116560553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).