4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide

C13H15BrN4O2 — CID 4774005

IUPAC4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)n(NC(=O)c2nn(C)c(C)c2Br)c(=O)c1
InChIInChI=1S/C13H15BrN4O2/c1-7-5-8(2)18(10(19)6-7)16-13(20)12-11(14)9(3)17(4)15-12/h5-6H,1-4H3,(H,16,20)
InChIKeyAGLKVFKSRONWBP-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.65
Rot. Bonds2

About 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 4774005) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID4774005
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C)n(NC(=O)c2nn(C)c(C)c2Br)c(=O)c1
InChIInChI=1S/C13H15BrN4O2/c1-7-5-8(2)18(10(19)6-7)16-13(20)12-11(14)9(3)17(4)15-12/h5-6H,1-4H3,(H,16,20)
InChIKeyAGLKVFKSRONWBP-UHFFFAOYSA-N
XLogP1.65
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide (CID 4774005) is 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C)n(NC(=O)c2nn(C)c(C)c2Br)c(=O)c1.
What is the InChIKey of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is AGLKVFKSRONWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-7-5-8(2)18(10(19)6-7)16-13(20)12-11(14)9(3)17(4)15-12/h5-6H,1-4H3,(H,16,20).
What are the key properties of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4774005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).