4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide

C14H16BrN3O2 — CID 115603581

IUPAC4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2O)n[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-14(2,3)11-7-12(18-17-11)16-13(20)9-5-4-8(15)6-10(9)19/h4-7,19H,1-3H3,(H2,16,17,18,20)
InChIKeyFXTDWLXTHOLPFP-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.43
Rot. Bonds2

About 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide

4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide (PubChem CID 115603581) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
PubChem CID115603581
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2O)n[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-14(2,3)11-7-12(18-17-11)16-13(20)9-5-4-8(15)6-10(9)19/h4-7,19H,1-3H3,(H2,16,17,18,20)
InChIKeyFXTDWLXTHOLPFP-UHFFFAOYSA-N
XLogP3.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,4-difluoro-5-methylbenzamide
CID 115674962
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide (CID 115603581) is 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2O)n[nH]1.
What is the InChIKey of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide?
The InChIKey is FXTDWLXTHOLPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-14(2,3)11-7-12(18-17-11)16-13(20)9-5-4-8(15)6-10(9)19/h4-7,19H,1-3H3,(H2,16,17,18,20).
What are the key properties of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide?
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide has a molecular weight of 338.21 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide is sourced from PubChem (CID 115603581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).