N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide

C15H12BrN5O — CID 56765908

IUPACN-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C15H12BrN5O/c1-10-9-11(16)3-4-12(10)18-15(22)13-5-6-14(20-19-13)21-8-2-7-17-21/h2-9H,1H3,(H,18,22)
InChIKeyIIEPMZDMLBOMMC-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.99
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide

N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide (PubChem CID 56765908) has the molecular formula C15H12BrN5O and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
PubChem CID56765908
Molecular FormulaC15H12BrN5O
Molecular Weight358.20 g/mol
Exact Mass357.02
IUPAC NameN-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)nn1
InChIInChI=1S/C15H12BrN5O/c1-10-9-11(16)3-4-12(10)18-15(22)13-5-6-14(20-19-13)21-8-2-7-17-21/h2-9H,1H3,(H,18,22)
InChIKeyIIEPMZDMLBOMMC-UHFFFAOYSA-N
XLogP2.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
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N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62186794
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791741
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
CID 55860000
N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 90544740
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide (CID 56765908) is N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)nn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
The InChIKey is IIEPMZDMLBOMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O/c1-10-9-11(16)3-4-12(10)18-15(22)13-5-6-14(20-19-13)21-8-2-7-17-21/h2-9H,1H3,(H,18,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 56765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).