N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C12H14BrN3O — CID 103122664

IUPACN-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(CBr)NC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H14BrN3O/c1-2-9(7-13)15-12(17)10-8-14-16-6-4-3-5-11(10)16/h3-6,8-9H,2,7H2,1H3,(H,15,17)
InChIKeyPDTMJPPGNQEJNQ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.24
Rot. Bonds4

About N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103122664) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103122664
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC(CBr)NC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H14BrN3O/c1-2-9(7-13)15-12(17)10-8-14-16-6-4-3-5-11(10)16/h3-6,8-9H,2,7H2,1H3,(H,15,17)
InChIKeyPDTMJPPGNQEJNQ-UHFFFAOYSA-N
XLogP2.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.24
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

3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
N-(1-chloro-4-methylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122593
N-(1-chloro-4-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114211896
N-(4-hydroxypentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113384187
N-(4-amino-1-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106152676
N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122641
N-(1,1-dimethoxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118082
N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122839
N-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113336480
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106354930
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106287553

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 103122664) is N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is CCC(CBr)NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is PDTMJPPGNQEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-9(7-13)15-12(17)10-8-14-16-6-4-3-5-11(10)16/h3-6,8-9H,2,7H2,1H3,(H,15,17).
What are the key properties of N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 296.17 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103122664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).