3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

C21H17N5O — CID 121018137

IUPAC3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H17N5O/c27-21(18-3-1-4-19(14-18)26-12-2-8-25-26)24-15-16-5-11-23-20(13-16)17-6-9-22-10-7-17/h1-14H,15H2,(H,24,27)
InChIKeyZBXRKUJLCIRRCL-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.26
Rot. Bonds5

About 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 121018137) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID121018137
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H17N5O/c27-21(18-3-1-4-19(14-18)26-12-2-8-25-26)24-15-16-5-11-23-20(13-16)17-6-9-22-10-7-17/h1-14H,15H2,(H,24,27)
InChIKeyZBXRKUJLCIRRCL-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
CID 163319479

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (CID 121018137) is 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is ZBXRKUJLCIRRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21(18-3-1-4-19(14-18)26-12-2-8-25-26)24-15-16-5-11-23-20(13-16)17-6-9-22-10-7-17/h1-14H,15H2,(H,24,27).
What are the key properties of 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 355.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121018137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).