N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

C24H29FN4O2 — CID 56539549

IUPACN-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C24H29FN4O2/c1-4-31-22-13-11-20(12-14-22)26-24(30)17(2)29(3)15-5-6-21-16-23(28-27-21)18-7-9-19(25)10-8-18/h7-14,16-17H,4-6,15H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyYVQYAYXQNIGYLY-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.51
Rot. Bonds10

About N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (PubChem CID 56539549) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
PubChem CID56539549
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCCOc1ccc(NC(=O)C(C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C24H29FN4O2/c1-4-31-22-13-11-20(12-14-22)26-24(30)17(2)29(3)15-5-6-21-16-23(28-27-21)18-7-9-19(25)10-8-18/h7-14,16-17H,4-6,15H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyYVQYAYXQNIGYLY-UHFFFAOYSA-N
XLogP4.51
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (CID 56539549) is N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is CCOc1ccc(NC(=O)C(C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The InChIKey is YVQYAYXQNIGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-31-22-13-11-20(12-14-22)26-24(30)17(2)29(3)15-5-6-21-16-23(28-27-21)18-7-9-19(25)10-8-18/h7-14,16-17H,4-6,15H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide has a molecular weight of 424.52 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is sourced from PubChem (CID 56539549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).