3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide

C17H14N6O — CID 163319479

IUPAC3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
SMILESO=C(NCc1cccc2ncnn12)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H14N6O/c24-17(13-4-1-5-14(10-13)22-9-3-8-20-22)18-11-15-6-2-7-16-19-12-21-23(15)16/h1-10,12H,11H2,(H,18,24)
InChIKeyQBERYGRHNLSZGA-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.85
Rot. Bonds4

About 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide

3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide (PubChem CID 163319479) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
PubChem CID163319479
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
SMILESO=C(NCc1cccc2ncnn12)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H14N6O/c24-17(13-4-1-5-14(10-13)22-9-3-8-20-22)18-11-15-6-2-7-16-19-12-21-23(15)16/h1-10,12H,11H2,(H,18,24)
InChIKeyQBERYGRHNLSZGA-UHFFFAOYSA-N
XLogP1.85
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-(imidazo[1,2-b]pyridazin-3-ylmethyl)benzamide
CID 66742714
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883
3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
CID 70748016

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide (CID 163319479) is 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide is O=C(NCc1cccc2ncnn12)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide?
The InChIKey is QBERYGRHNLSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c24-17(13-4-1-5-14(10-13)22-9-3-8-20-22)18-11-15-6-2-7-16-19-12-21-23(15)16/h1-10,12H,11H2,(H,18,24).
What are the key properties of 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide?
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide has a molecular weight of 318.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide is sourced from PubChem (CID 163319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).