N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C13H16BrN3O — CID 114147488

IUPACN-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16BrN3O/c1-10(14)5-4-7-15-13(18)11-9-16-17-8-3-2-6-12(11)17/h2-3,6,8-10H,4-5,7H2,1H3,(H,15,18)
InChIKeyVXXGBLMVWXCYQU-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.63
Rot. Bonds5

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

N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 114147488) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID114147488
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC NameN-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16BrN3O/c1-10(14)5-4-7-15-13(18)11-9-16-17-8-3-2-6-12(11)17/h2-3,6,8-10H,4-5,7H2,1H3,(H,15,18)
InChIKeyVXXGBLMVWXCYQU-UHFFFAOYSA-N
XLogP2.63
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113412163
N-(5-chloropentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107320901
2-hydroxy-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)butanoic acid
CID 114006253
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-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175830935
N-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103806904
N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120826687
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611
N-(2-bromo-3-methoxypropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122688
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
CID 119241632

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 114147488) is N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(Br)CCCNC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VXXGBLMVWXCYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-10(14)5-4-7-15-13(18)11-9-16-17-8-3-2-6-12(11)17/h2-3,6,8-10H,4-5,7H2,1H3,(H,15,18).
What are the key properties of N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 114147488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).