2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C13H21BrN4O2 — CID 19525666

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCOCC2)c(C)c1Br
InChIInChI=1S/C13H21BrN4O2/c1-10-13(14)11(2)18(16-10)9-12(19)15-3-4-17-5-7-20-8-6-17/h3-9H2,1-2H3,(H,15,19)
InChIKeyNLGFNZYDFSJZNF-UHFFFAOYSA-N
MW345.24 g/mol
LogP0.71
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 19525666) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID19525666
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCOCC2)c(C)c1Br
InChIInChI=1S/C13H21BrN4O2/c1-10-13(14)11(2)18(16-10)9-12(19)15-3-4-17-5-7-20-8-6-17/h3-9H2,1-2H3,(H,15,19)
InChIKeyNLGFNZYDFSJZNF-UHFFFAOYSA-N
XLogP0.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19530085
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-butylacetamide
CID 19525673
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 71689005
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 19522035
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 61242189
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083026
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19517448
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 4769764
2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46350323
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19524093

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 19525666) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1nn(CC(=O)NCCN2CCOCC2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is NLGFNZYDFSJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-10-13(14)11(2)18(16-10)9-12(19)15-3-4-17-5-7-20-8-6-17/h3-9H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 345.24 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 19525666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).