3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

C18H16FN3O — CID 146122234

IUPAC3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O/c19-15-6-4-5-14(13-15)18(23)20-11-9-16-10-12-22(21-16)17-7-2-1-3-8-17/h1-8,10,12-13H,9,11H2,(H,20,23)
InChIKeyBZCXVSOTIHJNGV-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.98
Rot. Bonds5

About 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (PubChem CID 146122234) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
PubChem CID146122234
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O/c19-15-6-4-5-14(13-15)18(23)20-11-9-16-10-12-22(21-16)17-7-2-1-3-8-17/h1-8,10,12-13H,9,11H2,(H,20,23)
InChIKeyBZCXVSOTIHJNGV-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152232
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 146126737
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75370539
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
2-[1-(3-fluorophenyl)pyrazol-3-yl]ethanol
CID 116818219

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (CID 146122234) is 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is O=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is BZCXVSOTIHJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-15-6-4-5-14(13-15)18(23)20-11-9-16-10-12-22(21-16)17-7-2-1-3-8-17/h1-8,10,12-13H,9,11H2,(H,20,23).
What are the key properties of 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 146122234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).