N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide

C12H12BrN3O — CID 2818771

IUPACN-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2)c1Br
InChIInChI=1S/C12H12BrN3O/c1-8-10(13)11(16(2)15-8)14-12(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17)
InChIKeyPMMGHPJPQKROLX-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide

N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide (PubChem CID 2818771) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide
PubChem CID2818771
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2)c1Br
InChIInChI=1S/C12H12BrN3O/c1-8-10(13)11(16(2)15-8)14-12(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17)
InChIKeyPMMGHPJPQKROLX-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide?
The IUPAC name of N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide (CID 2818771) is N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide?
The canonical SMILES for N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide is Cc1nn(C)c(NC(=O)c2ccccc2)c1Br.
What is the InChIKey of N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide?
The InChIKey is PMMGHPJPQKROLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-10(13)11(16(2)15-8)14-12(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide?
N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1,3-dimethylpyrazol-5-yl)benzamide is sourced from PubChem (CID 2818771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).