4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide

C13H14BrN3O2 — CID 103910780

IUPAC4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H14BrN3O2/c1-3-10-11(7-17(2)16-10)15-13(19)8-4-5-9(14)12(18)6-8/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyPIRHUDGKJXXEAO-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide

4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide (PubChem CID 103910780) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
PubChem CID103910780
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H14BrN3O2/c1-3-10-11(7-17(2)16-10)15-13(19)8-4-5-9(14)12(18)6-8/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyPIRHUDGKJXXEAO-UHFFFAOYSA-N
XLogP2.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 113349973
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
CID 103910077
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
4-amino-3,5-dichloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 103910781
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
N-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-4-methylbenzamide
CID 113358549
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide (CID 103910780) is 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide is CCc1nn(C)cc1NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide?
The InChIKey is PIRHUDGKJXXEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-3-10-11(7-17(2)16-10)15-13(19)8-4-5-9(14)12(18)6-8/h4-7,18H,3H2,1-2H3,(H,15,19).
What are the key properties of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide?
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide has a molecular weight of 324.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide is sourced from PubChem (CID 103910780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).