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

C19H18FN3O2 — CID 35534339

IUPAC2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-3-25-17-7-5-4-6-16(17)19(24)21-18-12-13(2)22-23(18)15-10-8-14(20)9-11-15/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyYWOXLQQXSBOJML-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.97
Rot. Bonds5

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

2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 35534339) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID35534339
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-3-25-17-7-5-4-6-16(17)19(24)21-18-12-13(2)22-23(18)15-10-8-14(20)9-11-15/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyYWOXLQQXSBOJML-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

2-ethoxy-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]benzamide
CID 55520199
3-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112845051
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
N-(5-methyl-2-propylpyrazol-3-yl)-2-propoxybenzamide
CID 21250740
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide (CID 35534339) is 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is YWOXLQQXSBOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-25-17-7-5-4-6-16(17)19(24)21-18-12-13(2)22-23(18)15-10-8-14(20)9-11-15/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide?
2-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 2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 35534339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).