2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol

C19H20FN3O — CID 644635

IUPAC2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c20-18-8-6-16(7-9-18)19-17(12-21-22-19)14-23(10-11-24)13-15-4-2-1-3-5-15/h1-9,12,24H,10-11,13-14H2,(H,21,22)
InChIKeyFDQWFAGDHPQTSJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.21
Rot. Bonds7

About 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol

2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol (PubChem CID 644635) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
PubChem CID644635
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O/c20-18-8-6-16(7-9-18)19-17(12-21-22-19)14-23(10-11-24)13-15-4-2-1-3-5-15/h1-9,12,24H,10-11,13-14H2,(H,21,22)
InChIKeyFDQWFAGDHPQTSJ-UHFFFAOYSA-N
XLogP3.21
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol (CID 644635) is 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The InChIKey is FDQWFAGDHPQTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-18-8-6-16(7-9-18)19-17(12-21-22-19)14-23(10-11-24)13-15-4-2-1-3-5-15/h1-9,12,24H,10-11,13-14H2,(H,21,22).
What are the key properties of 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol has a molecular weight of 325.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 644635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).