2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide

C14H16BrN3O — CID 78778624

IUPAC2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-3-10(2)18-13(8-9-16-18)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyAGYMQGFIUNFLRE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.87
Rot. Bonds4

About 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide

2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide (PubChem CID 78778624) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
PubChem CID78778624
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrN3O/c1-3-10(2)18-13(8-9-16-18)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyAGYMQGFIUNFLRE-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 78778329
2-bromo-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]benzamide
CID 27832017
4-benzyl-2-bromo-N-(2-butan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959051
N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 78778551
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide (CID 78778624) is 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide is CCC(C)n1nccc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is AGYMQGFIUNFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-10(2)18-13(8-9-16-18)17-14(19)11-6-4-5-7-12(11)15/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide?
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 322.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 78778624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).