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

C18H15N7O — CID 121195995

IUPAC3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H15N7O/c26-18(14-3-1-4-17(11-14)24-10-2-7-21-24)20-12-15-13-25(23-22-15)16-5-8-19-9-6-16/h1-11,13H,12H2,(H,20,26)
InChIKeyHFXTTXPYQNVUFD-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.78
Rot. Bonds5

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

3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide (PubChem CID 121195995) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
PubChem CID121195995
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H15N7O/c26-18(14-3-1-4-17(11-14)24-10-2-7-21-24)20-12-15-13-25(23-22-15)16-5-8-19-9-6-16/h1-11,13H,12H2,(H,20,26)
InChIKeyHFXTTXPYQNVUFD-UHFFFAOYSA-N
XLogP1.78
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
3-fluoro-4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195968
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide (CID 121195995) is 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide is O=C(NCc1cn(-c2ccncc2)nn1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
The InChIKey is HFXTTXPYQNVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c26-18(14-3-1-4-17(11-14)24-10-2-7-21-24)20-12-15-13-25(23-22-15)16-5-8-19-9-6-16/h1-11,13H,12H2,(H,20,26).
What are the key properties of 3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide?
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide has a molecular weight of 345.37 g/mol, XLogP of 1.78, 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-pyridin-4-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121195995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).