3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

C17H14N6OS — CID 122275883

IUPAC3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H14N6OS/c24-17(13-3-1-4-15(9-13)22-7-2-6-19-22)18-10-14-11-23(21-20-14)16-5-8-25-12-16/h1-9,11-12H,10H2,(H,18,24)
InChIKeyPIZKPKLQGUXMLQ-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.44
Rot. Bonds5

About 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 122275883) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
PubChem CID122275883
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H14N6OS/c24-17(13-3-1-4-15(9-13)22-7-2-6-19-22)18-10-14-11-23(21-20-14)16-5-8-25-12-16/h1-9,11-12H,10H2,(H,18,24)
InChIKeyPIZKPKLQGUXMLQ-UHFFFAOYSA-N
XLogP2.44
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
2-ethyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
CID 122275830
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
2-chloro-4-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122162202
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (CID 122275883) is 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is O=C(NCc1cn(-c2ccsc2)nn1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is PIZKPKLQGUXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c24-17(13-3-1-4-15(9-13)22-7-2-6-19-22)18-10-14-11-23(21-20-14)16-5-8-25-12-16/h1-9,11-12H,10H2,(H,18,24).
What are the key properties of 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 350.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122275883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).