3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

C19H18FN3O — CID 146126708

IUPAC3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESCc1cc(F)cc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18FN3O/c1-14-11-15(13-16(20)12-14)19(24)21-9-7-17-8-10-23(22-17)18-5-3-2-4-6-18/h2-6,8,10-13H,7,9H2,1H3,(H,21,24)
InChIKeyILWJVAPGEPWJSW-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.29
Rot. Bonds5

About 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide

3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (PubChem CID 146126708) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
PubChem CID146126708
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
SMILESCc1cc(F)cc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18FN3O/c1-14-11-15(13-16(20)12-14)19(24)21-9-7-17-8-10-23(22-17)18-5-3-2-4-6-18/h2-6,8,10-13H,7,9H2,1H3,(H,21,24)
InChIKeyILWJVAPGEPWJSW-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
CID 51106857
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 146126737
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide (CID 146126708) is 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is Cc1cc(F)cc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is ILWJVAPGEPWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14-11-15(13-16(20)12-14)19(24)21-9-7-17-8-10-23(22-17)18-5-3-2-4-6-18/h2-6,8,10-13H,7,9H2,1H3,(H,21,24).
What are the key properties of 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide?
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 146126708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).