2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide

C18H16FN3O — CID 121020133

IUPAC2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(-c2ccccc2)cn1)c1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-17-9-5-4-8-16(17)18(23)20-10-11-22-13-15(12-21-22)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,23)
InChIKeyBEOSMBYTRMGHTQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.12
Rot. Bonds5

About 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide

2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide (PubChem CID 121020133) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
PubChem CID121020133
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1cc(-c2ccccc2)cn1)c1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-17-9-5-4-8-16(17)18(23)20-10-11-22-13-15(12-21-22)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,23)
InChIKeyBEOSMBYTRMGHTQ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]benzamide
CID 122244751
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
2,6-difluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 119102967
2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
CID 126852817
4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
CID 121020141
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 119102947
N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
CID 118524294
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide (CID 121020133) is 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1cc(-c2ccccc2)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is BEOSMBYTRMGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-17-9-5-4-8-16(17)18(23)20-10-11-22-13-15(12-21-22)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,23).
What are the key properties of 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide?
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 121020133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).