5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide

C13H15BrN4O — CID 112688842

IUPAC5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Br)cn2)n[nH]1
InChIInChI=1S/C13H15BrN4O/c1-13(2,3)10-6-11(18-17-10)16-12(19)9-5-4-8(14)7-15-9/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyVLZOGTILVURVRZ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide

5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 112688842) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
PubChem CID112688842
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(Br)cn2)n[nH]1
InChIInChI=1S/C13H15BrN4O/c1-13(2,3)10-6-11(18-17-10)16-12(19)9-5-4-8(14)7-15-9/h4-7H,1-3H3,(H2,16,17,18,19)
InChIKeyVLZOGTILVURVRZ-UHFFFAOYSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide
CID 115603586
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide (CID 112688842) is 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccc(Br)cn2)n[nH]1.
What is the InChIKey of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is VLZOGTILVURVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-13(2,3)10-6-11(18-17-10)16-12(19)9-5-4-8(14)7-15-9/h4-7H,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide?
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112688842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).