N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

C17H16N6O — CID 56914464

IUPACN-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCCCn1nnc2ccccc21)c1cccc2ccnn12
InChIInChI=1S/C17H16N6O/c24-17(16-8-3-5-13-9-11-19-23(13)16)18-10-4-12-22-15-7-2-1-6-14(15)20-21-22/h1-3,5-9,11H,4,10,12H2,(H,18,24)
InChIKeyZZMSYKJWOAKTHK-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.90
Rot. Bonds5

About N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide

N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 56914464) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID56914464
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC NameN-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCCCn1nnc2ccccc21)c1cccc2ccnn12
InChIInChI=1S/C17H16N6O/c24-17(16-8-3-5-13-9-11-19-23(13)16)18-10-4-12-22-15-7-2-1-6-14(15)20-21-22/h1-3,5-9,11H,4,10,12H2,(H,18,24)
InChIKeyZZMSYKJWOAKTHK-UHFFFAOYSA-N
XLogP1.90
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653
N-[3-(benzotriazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70752560
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-[3-(benzotriazol-1-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72865183
N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide
CID 74546278
N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 154892791
18-(benzotriazol-1-yl)octadecanoic acid
CID 19873915
1-[3-(benzotriazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 72920930
silver 1-octylbenzotriazole
CID 19818350
N-[3-(benzotriazol-1-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95136208
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[3-(benzotriazol-1-yl)propyl]propanamide
CID 134127687
2-(2-aminoethoxy)-N-[3-(benzotriazol-1-yl)propyl]-5-fluorobenzamide
CID 119073637

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide (CID 56914464) is N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide is O=C(NCCCn1nnc2ccccc21)c1cccc2ccnn12.
What is the InChIKey of N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is ZZMSYKJWOAKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-17(16-8-3-5-13-9-11-19-23(13)16)18-10-4-12-22-15-7-2-1-6-14(15)20-21-22/h1-3,5-9,11H,4,10,12H2,(H,18,24).
What are the key properties of N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide?
N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 56914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).