4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide

C18H18N4O — CID 90588265

IUPAC4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-14-5-7-15(8-6-14)18(23)20-11-13-22-12-9-17(21-22)16-4-2-3-10-19-16/h2-10,12H,11,13H2,1H3,(H,20,23)
InChIKeySWUTUXSBQBKBHJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.68
Rot. Bonds5

About 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide

4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 90588265) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID90588265
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-14-5-7-15(8-6-14)18(23)20-11-13-22-12-9-17(21-22)16-4-2-3-10-19-16/h2-10,12H,11,13H2,1H3,(H,20,23)
InChIKeySWUTUXSBQBKBHJ-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588267
4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364
4-methyl-3-nitro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588318
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
5-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 71807997
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
2-(3-methylphenoxy)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 90588299
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
CID 71807939
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (CID 90588265) is 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCn2ccc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is SWUTUXSBQBKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-5-7-15(8-6-14)18(23)20-11-13-22-12-9-17(21-22)16-4-2-3-10-19-16/h2-10,12H,11,13H2,1H3,(H,20,23).
What are the key properties of 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).