2-bromo-4-pyrazol-1-ylbenzamide

C10H8BrN3O — CID 107282932

IUPAC2-bromo-4-pyrazol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2cccn2)cc1Br
InChIInChI=1S/C10H8BrN3O/c11-9-6-7(14-5-1-4-13-14)2-3-8(9)10(12)15/h1-6H,(H2,12,15)
InChIKeyAWUBLKLPBZEHJX-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.73
Rot. Bonds2

About 2-bromo-4-pyrazol-1-ylbenzamide

2-bromo-4-pyrazol-1-ylbenzamide (PubChem CID 107282932) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 2-bromo-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-bromo-4-pyrazol-1-ylbenzamide
PubChem CID107282932
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name2-bromo-4-pyrazol-1-ylbenzamide
SMILESNC(=O)c1ccc(-n2cccn2)cc1Br
InChIInChI=1S/C10H8BrN3O/c11-9-6-7(14-5-1-4-13-14)2-3-8(9)10(12)15/h1-6H,(H2,12,15)
InChIKeyAWUBLKLPBZEHJX-UHFFFAOYSA-N
XLogP1.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pyrazol-1-ylbenzamide?
The IUPAC name of 2-bromo-4-pyrazol-1-ylbenzamide (CID 107282932) is 2-bromo-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-bromo-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-bromo-4-pyrazol-1-ylbenzamide is NC(=O)c1ccc(-n2cccn2)cc1Br.
What is the InChIKey of 2-bromo-4-pyrazol-1-ylbenzamide?
The InChIKey is AWUBLKLPBZEHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-9-6-7(14-5-1-4-13-14)2-3-8(9)10(12)15/h1-6H,(H2,12,15).
What are the key properties of 2-bromo-4-pyrazol-1-ylbenzamide?
2-bromo-4-pyrazol-1-ylbenzamide has a molecular weight of 266.10 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 107282932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).