2-(4-bromopyrazol-1-yl)-2-phenylacetamide

C11H10BrN3O — CID 166495248

IUPAC2-(4-bromopyrazol-1-yl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C11H10BrN3O/c12-9-6-14-15(7-9)10(11(13)16)8-4-2-1-3-5-8/h1-7,10H,(H2,13,16)
InChIKeyIPYHHUQOWIDJIJ-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-2-phenylacetamide

2-(4-bromopyrazol-1-yl)-2-phenylacetamide (PubChem CID 166495248) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-2-phenylacetamide
PubChem CID166495248
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-(4-bromopyrazol-1-yl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C11H10BrN3O/c12-9-6-14-15(7-9)10(11(13)16)8-4-2-1-3-5-8/h1-7,10H,(H2,13,16)
InChIKeyIPYHHUQOWIDJIJ-UHFFFAOYSA-N
XLogP1.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-2-phenylacetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-2-phenylacetamide (CID 166495248) is 2-(4-bromopyrazol-1-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-2-phenylacetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-2-phenylacetamide is NC(=O)C(c1ccccc1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-2-phenylacetamide?
The InChIKey is IPYHHUQOWIDJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-6-14-15(7-9)10(11(13)16)8-4-2-1-3-5-8/h1-7,10H,(H2,13,16).
What are the key properties of 2-(4-bromopyrazol-1-yl)-2-phenylacetamide?
2-(4-bromopyrazol-1-yl)-2-phenylacetamide has a molecular weight of 280.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-2-phenylacetamide is sourced from PubChem (CID 166495248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).