2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C14H22BrN3O2 — CID 79663777

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2CN(C(C)C)CCO2)c1Br
InChIInChI=1S/C14H22BrN3O2/c1-9(2)18-5-6-20-13(8-18)12(19)7-11-14(15)10(3)16-17(11)4/h9,13H,5-8H2,1-4H3
InChIKeyAJMWJBBCYAXAEX-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.71
Rot. Bonds4

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79663777) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79663777
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCc1nn(C)c(CC(=O)C2CN(C(C)C)CCO2)c1Br
InChIInChI=1S/C14H22BrN3O2/c1-9(2)18-5-6-20-13(8-18)12(19)7-11-14(15)10(3)16-17(11)4/h9,13H,5-8H2,1-4H3
InChIKeyAJMWJBBCYAXAEX-UHFFFAOYSA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 113454527
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 114982057
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657756
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114982061
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79665135
2-(2-chloro-4-methylphenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 106867043
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 115333201
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
CID 79657753

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79663777) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is Cc1nn(C)c(CC(=O)C2CN(C(C)C)CCO2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is AJMWJBBCYAXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-9(2)18-5-6-20-13(8-18)12(19)7-11-14(15)10(3)16-17(11)4/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 344.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79663777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).