3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

C20H20FN3O — CID 31954278

IUPAC3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN3O/c21-19-9-4-3-6-16(19)10-11-20(25)22-14-17-7-1-2-8-18(17)15-24-13-5-12-23-24/h1-9,12-13H,10-11,14-15H2,(H,22,25)
InChIKeyYFFJGMLUMRDDJV-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.32
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 31954278) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID31954278
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccccc1F)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H20FN3O/c21-19-9-4-3-6-16(19)10-11-20(25)22-14-17-7-1-2-8-18(17)15-24-13-5-12-23-24/h1-9,12-13H,10-11,14-15H2,(H,22,25)
InChIKeyYFFJGMLUMRDDJV-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 31954278) is 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCc1ccccc1F)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is YFFJGMLUMRDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-19-9-4-3-6-16(19)10-11-20(25)22-14-17-7-1-2-8-18(17)15-24-13-5-12-23-24/h1-9,12-13H,10-11,14-15H2,(H,22,25).
What are the key properties of 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 337.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 31954278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).