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

C23H20N4O — CID 90588347

IUPAC4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O/c28-23(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-15-17-27-16-13-22(26-27)21-8-4-5-14-24-21/h1-14,16H,15,17H2,(H,25,28)
InChIKeyPGEWSVKRUTZFJC-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.04
Rot. Bonds6

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

4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 90588347) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID90588347
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O/c28-23(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-15-17-27-16-13-22(26-27)21-8-4-5-14-24-21/h1-14,16H,15,17H2,(H,25,28)
InChIKeyPGEWSVKRUTZFJC-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
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
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
5-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 71807997
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
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
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (CID 90588347) is 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is PGEWSVKRUTZFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-15-17-27-16-13-22(26-27)21-8-4-5-14-24-21/h1-14,16H,15,17H2,(H,25,28).
What are the key properties of 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).