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

C13H16ClN3O — CID 103122641

IUPACN-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)C(CCl)NC(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16ClN3O/c1-9(2)11(7-14)16-13(18)10-8-15-17-6-4-3-5-12(10)17/h3-6,8-9,11H,7H2,1-2H3,(H,16,18)
InChIKeyFWSRDPJIBXLTKK-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.33
Rot. Bonds4

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

N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103122641) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103122641
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)C(CCl)NC(=O)c1cnn2ccccc12
InChIInChI=1S/C13H16ClN3O/c1-9(2)11(7-14)16-13(18)10-8-15-17-6-4-3-5-12(10)17/h3-6,8-9,11H,7H2,1-2H3,(H,16,18)
InChIKeyFWSRDPJIBXLTKK-UHFFFAOYSA-N
XLogP2.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.33
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-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106354930
N-(1-chloro-4-methylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122593
N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122611
N-(1-chloro-4-methoxybutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114211896
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
N-(4-hydroxypentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113384187
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711
N-(1,1-dimethoxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118082
N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122664
N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120449
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

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 103122641) is N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)C(CCl)NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FWSRDPJIBXLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(2)11(7-14)16-13(18)10-8-15-17-6-4-3-5-12(10)17/h3-6,8-9,11H,7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103122641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).