N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide

C11H11BrN4O — CID 79729400

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2)ncc1Br
InChIInChI=1S/C11H11BrN4O/c1-7-3-10(13-5-9(7)12)15-11(17)8-4-14-16(2)6-8/h3-6H,1-2H3,(H,13,15,17)
InChIKeyRGDWSUQEOSUSCA-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.14
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide (PubChem CID 79729400) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
PubChem CID79729400
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2)ncc1Br
InChIInChI=1S/C11H11BrN4O/c1-7-3-10(13-5-9(7)12)15-11(17)8-4-14-16(2)6-8/h3-6H,1-2H3,(H,13,15,17)
InChIKeyRGDWSUQEOSUSCA-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide (CID 79729400) is N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(C)c2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RGDWSUQEOSUSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-3-10(13-5-9(7)12)15-11(17)8-4-14-16(2)6-8/h3-6H,1-2H3,(H,13,15,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 79729400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).