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

C19H19F2N3O — CID 25284048

IUPAC2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C19H19F2N3O/c20-16-6-7-17(18(21)10-16)19-15(11-22-23-19)13-24(8-9-25)12-14-4-2-1-3-5-14/h1-7,10-11,25H,8-9,12-13H2,(H,22,23)
InChIKeyRHRFJWNKBHLQMY-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.35
Rot. Bonds7

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

2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol (PubChem CID 25284048) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
PubChem CID25284048
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C19H19F2N3O/c20-16-6-7-17(18(21)10-16)19-15(11-22-23-19)13-24(8-9-25)12-14-4-2-1-3-5-14/h1-7,10-11,25H,8-9,12-13H2,(H,22,23)
InChIKeyRHRFJWNKBHLQMY-UHFFFAOYSA-N
XLogP3.35
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol (CID 25284048) is 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
The InChIKey is RHRFJWNKBHLQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-16-6-7-17(18(21)10-16)19-15(11-22-23-19)13-24(8-9-25)12-14-4-2-1-3-5-14/h1-7,10-11,25H,8-9,12-13H2,(H,22,23).
What are the key properties of 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol?
2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol has a molecular weight of 343.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 25284048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).