3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

C19H18FN3O2 — CID 112845051

IUPAC3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O2/c1-3-25-17-6-4-5-14(12-17)19(24)21-18-11-13(2)22-23(18)16-9-7-15(20)8-10-16/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyZOZUIGJEMZJOJV-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.97
Rot. Bonds5

About 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide

3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 112845051) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID112845051
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O2/c1-3-25-17-6-4-5-14(12-17)19(24)21-18-11-13(2)22-23(18)16-9-7-15(20)8-10-16/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyZOZUIGJEMZJOJV-UHFFFAOYSA-N
XLogP3.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-pyrrol-1-ylbenzamide
CID 112805877
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
4-(difluoromethoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805768
ethyl 5-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-1H-indole-2-carboxylate
CID 112816924
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 41285441
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55503341
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (CID 112845051) is 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is CCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is ZOZUIGJEMZJOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-25-17-6-4-5-14(12-17)19(24)21-18-11-13(2)22-23(18)16-9-7-15(20)8-10-16/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 112845051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).