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

C12H13BrN4O2 — CID 4773887

IUPAC4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(NC(=O)c2nn(C)cc2Br)c(=O)c1
InChIInChI=1S/C12H13BrN4O2/c1-7-4-8(2)17(10(18)5-7)15-12(19)11-9(13)6-16(3)14-11/h4-6H,1-3H3,(H,15,19)
InChIKeyYZWRAIZJVSJJJO-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.35
Rot. Bonds2

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

4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 4773887) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID4773887
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(C)n(NC(=O)c2nn(C)cc2Br)c(=O)c1
InChIInChI=1S/C12H13BrN4O2/c1-7-4-8(2)17(10(18)5-7)15-12(19)11-9(13)6-16(3)14-11/h4-6H,1-3H3,(H,15,19)
InChIKeyYZWRAIZJVSJJJO-UHFFFAOYSA-N
XLogP1.35
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889
4-bromo-1-methyl-1H-pyrazole-5-carbohydrazide
CID 1273244
(4-bromo-1-methylpyrazol-5-yl)-[3-hydroxy-5-methyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 4749104
4-Bromo-N'-((1-ethyl-5-fluoro-1H-pyrazol-4-yl)methylene)-1-methyl-1H-pyrazole-3-carbohydrazide
CID 119056017
4-Bromo-1-ethyl-N'-((1-ethyl-5-fluoro-1H-pyrazol-4-yl)methylene)-1H-pyrazole-3-carbohydrazide
CID 119056033
4-bromo-N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 124847363
4-bromo-1-ethyl-N-[(Z)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 124847636
4-bromo-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 171131081
4-bromo-1-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]pyrazole-3-carboxamide
CID 171131097
N-(4,6-dimethyl-2-oxohydropyridyl)-3-(4-bromo-5-methylpyrazolyl)propanamide
CID 4774564
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid hydrazide
CID 605116
4-bromo-1-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide
CID 4767850

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 4773887) is 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide is Cc1cc(C)n(NC(=O)c2nn(C)cc2Br)c(=O)c1.
What is the InChIKey of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YZWRAIZJVSJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-7-4-8(2)17(10(18)5-7)15-12(19)11-9(13)6-16(3)14-11/h4-6H,1-3H3,(H,15,19).
What are the key properties of 4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(2,4-dimethyl-6-oxo-1-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.35, 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-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4773887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).