3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide

C23H26FN3O3 — CID 55953206

IUPAC3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)ccc1OC
InChIInChI=1S/C23H26FN3O3/c1-4-30-22-14-17(10-11-21(22)29-3)23(28)27(2)12-6-9-19-15-20(26-25-19)16-7-5-8-18(24)13-16/h5,7-8,10-11,13-15H,4,6,9,12H2,1-3H3,(H,25,26)
InChIKeyQTEFOHWNGYZYQH-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.33
Rot. Bonds9

About 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide

3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide (PubChem CID 55953206) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
PubChem CID55953206
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)ccc1OC
InChIInChI=1S/C23H26FN3O3/c1-4-30-22-14-17(10-11-21(22)29-3)23(28)27(2)12-6-9-19-15-20(26-25-19)16-7-5-8-18(24)13-16/h5,7-8,10-11,13-15H,4,6,9,12H2,1-3H3,(H,25,26)
InChIKeyQTEFOHWNGYZYQH-UHFFFAOYSA-N
XLogP4.33
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide
CID 55953731
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 55953983
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(propanoylamino)benzamide
CID 55976193
2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55977088
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
CID 119744618
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
3-bromo-N-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 55953212

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide (CID 55953206) is 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide is CCOc1cc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)ccc1OC.
What is the InChIKey of 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide?
The InChIKey is QTEFOHWNGYZYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-4-30-22-14-17(10-11-21(22)29-3)23(28)27(2)12-6-9-19-15-20(26-25-19)16-7-5-8-18(24)13-16/h5,7-8,10-11,13-15H,4,6,9,12H2,1-3H3,(H,25,26).
What are the key properties of 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide?
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide has a molecular weight of 411.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 55953206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).