2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

C13H21BrN4O2 — CID 4771339

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCc1nn(CC(=O)NC(C)CN2CCOCC2)cc1Br
InChIInChI=1S/C13H21BrN4O2/c1-10(7-17-3-5-20-6-4-17)15-13(19)9-18-8-12(14)11(2)16-18/h8,10H,3-7,9H2,1-2H3,(H,15,19)
InChIKeyZNXFUBFPSDKDIV-UHFFFAOYSA-N
MW345.24 g/mol
LogP0.79
Rot. Bonds5

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide (PubChem CID 4771339) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
PubChem CID4771339
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCc1nn(CC(=O)NC(C)CN2CCOCC2)cc1Br
InChIInChI=1S/C13H21BrN4O2/c1-10(7-17-3-5-20-6-4-17)15-13(19)9-18-8-12(14)11(2)16-18/h8,10H,3-7,9H2,1-2H3,(H,15,19)
InChIKeyZNXFUBFPSDKDIV-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide (CID 4771339) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide is Cc1nn(CC(=O)NC(C)CN2CCOCC2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is ZNXFUBFPSDKDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-10(7-17-3-5-20-6-4-17)15-13(19)9-18-8-12(14)11(2)16-18/h8,10H,3-7,9H2,1-2H3,(H,15,19).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide has a molecular weight of 345.24 g/mol, XLogP of 0.79, 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-methylpyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 4771339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).