2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide

C11H9BrFN3O — CID 47466464

IUPAC2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)Nc1ccn[nH]1
InChIInChI=1S/C11H9BrFN3O/c12-8-5-7(1-2-9(8)13)6-11(17)15-10-3-4-14-16-10/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyOVPJZXCXLVMTLE-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 47466464) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID47466464
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)Nc1ccn[nH]1
InChIInChI=1S/C11H9BrFN3O/c12-8-5-7(1-2-9(8)13)6-11(17)15-10-3-4-14-16-10/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyOVPJZXCXLVMTLE-UHFFFAOYSA-N
XLogP2.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide (CID 47466464) is 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide is O=C(Cc1ccc(F)c(Br)c1)Nc1ccn[nH]1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is OVPJZXCXLVMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-8-5-7(1-2-9(8)13)6-11(17)15-10-3-4-14-16-10/h1-5H,6H2,(H2,14,15,16,17).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 298.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 47466464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).