2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide

C10H15BrN4O2 — CID 4769758

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide
SMILESCc1c(Br)cnn1CC(=O)NN1CCOCC1
InChIInChI=1S/C10H15BrN4O2/c1-8-9(11)6-12-15(8)7-10(16)13-14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,13,16)
InChIKeyDRWWJJRRVKKCKV-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.32
Rot. Bonds3

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide (PubChem CID 4769758) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide
PubChem CID4769758
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide
SMILESCc1c(Br)cnn1CC(=O)NN1CCOCC1
InChIInChI=1S/C10H15BrN4O2/c1-8-9(11)6-12-15(8)7-10(16)13-14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,13,16)
InChIKeyDRWWJJRRVKKCKV-UHFFFAOYSA-N
XLogP0.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide (CID 4769758) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide is Cc1c(Br)cnn1CC(=O)NN1CCOCC1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide?
The InChIKey is DRWWJJRRVKKCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-8-9(11)6-12-15(8)7-10(16)13-14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,13,16).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide has a molecular weight of 303.16 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-morpholin-4-ylacetamide is sourced from PubChem (CID 4769758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).