3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide

C21H23FN4O — CID 46986819

IUPAC3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide
SMILESNC(=O)CCN(CCc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O/c22-19-8-6-17(7-9-19)21-18(14-24-25-21)15-26(13-11-20(23)27)12-10-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H2,23,27)(H,24,25)
InChIKeyXEBGHAUJOXYNQU-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.14
Rot. Bonds9

About 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide

3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide (PubChem CID 46986819) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide
PubChem CID46986819
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide
SMILESNC(=O)CCN(CCc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O/c22-19-8-6-17(7-9-19)21-18(14-24-25-21)15-26(13-11-20(23)27)12-10-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H2,23,27)(H,24,25)
InChIKeyXEBGHAUJOXYNQU-UHFFFAOYSA-N
XLogP3.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide (CID 46986819) is 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide is NC(=O)CCN(CCc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide?
The InChIKey is XEBGHAUJOXYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-8-6-17(7-9-19)21-18(14-24-25-21)15-26(13-11-20(23)27)12-10-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H2,23,27)(H,24,25).
What are the key properties of 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide?
3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide has a molecular weight of 366.44 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 46986819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).