N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide

C11H11BrN4O — CID 102674177

IUPACN-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(Br)ccn2)cnn1C
InChIInChI=1S/C11H11BrN4O/c1-7-9(6-14-16(7)2)11(17)15-10-5-8(12)3-4-13-10/h3-6H,1-2H3,(H,13,15,17)
InChIKeyOHKIEVFZTWEULM-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.14
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide

N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 102674177) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID102674177
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(Br)ccn2)cnn1C
InChIInChI=1S/C11H11BrN4O/c1-7-9(6-14-16(7)2)11(17)15-10-5-8(12)3-4-13-10/h3-6H,1-2H3,(H,13,15,17)
InChIKeyOHKIEVFZTWEULM-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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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(4-bromo-2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62721395
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054
N-(4-bromo-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 102674262
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 102674220
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 102674338

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide (CID 102674177) is N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(Br)ccn2)cnn1C.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OHKIEVFZTWEULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-9(6-14-16(7)2)11(17)15-10-5-8(12)3-4-13-10/h3-6H,1-2H3,(H,13,15,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-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-(4-bromo-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102674177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).