N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C14H18BrN3O — CID 114149424

IUPACN-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(CCBr)CNC(=O)c1cnn2ccccc12
InChIInChI=1S/C14H18BrN3O/c1-14(2,6-7-15)10-16-13(19)11-9-17-18-8-4-3-5-12(11)18/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19)
InChIKeyVEUWZIDLEYALBV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.88
Rot. Bonds5

About N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 114149424) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID114149424
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(CCBr)CNC(=O)c1cnn2ccccc12
InChIInChI=1S/C14H18BrN3O/c1-14(2,6-7-15)10-16-13(19)11-9-17-18-8-4-3-5-12(11)18/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19)
InChIKeyVEUWZIDLEYALBV-UHFFFAOYSA-N
XLogP2.88
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103711850
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
N-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103806904
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553
N-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113336480
N-(5-chloropentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107320901
N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114147488
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106287553
N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122664
N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120826687
N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122688

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 114149424) is N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(CCBr)CNC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VEUWZIDLEYALBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-14(2,6-7-15)10-16-13(19)11-9-17-18-8-4-3-5-12(11)18/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 114149424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).