5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide

C12H13BrN4O — CID 62954369

IUPAC5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H13BrN4O/c1-8(2)17-11(5-6-15-17)16-12(18)10-4-3-9(13)7-14-10/h3-8H,1-2H3,(H,16,18)
InChIKeyWGBYXGIFAXLKFM-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide

5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 62954369) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID62954369
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C12H13BrN4O/c1-8(2)17-11(5-6-15-17)16-12(18)10-4-3-9(13)7-14-10/h3-8H,1-2H3,(H,16,18)
InChIKeyWGBYXGIFAXLKFM-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide (CID 62954369) is 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide is CC(C)n1nccc1NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is WGBYXGIFAXLKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8(2)17-11(5-6-15-17)16-12(18)10-4-3-9(13)7-14-10/h3-8H,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62954369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).