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

C10H15BrN4O2 — CID 2808842

IUPACN-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide
SMILESCn1ncc(Br)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C10H15BrN4O2/c1-14-10(8(11)6-12-14)13-9(16)7-15-2-4-17-5-3-15/h6H,2-5,7H2,1H3,(H,13,16)
InChIKeyWMLVPMJHRNRMCO-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.45
Rot. Bonds3

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

N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 2808842) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide
PubChem CID2808842
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC NameN-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide
SMILESCn1ncc(Br)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C10H15BrN4O2/c1-14-10(8(11)6-12-14)13-9(16)7-15-2-4-17-5-3-15/h6H,2-5,7H2,1H3,(H,13,16)
InChIKeyWMLVPMJHRNRMCO-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide (CID 2808842) is N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide is Cn1ncc(Br)c1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is WMLVPMJHRNRMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-14-10(8(11)6-12-14)13-9(16)7-15-2-4-17-5-3-15/h6H,2-5,7H2,1H3,(H,13,16).
What are the key properties of N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide?
N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 303.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methylpyrazol-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2808842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).