2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C17H20FN5O — CID 91774842

IUPAC2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C17H20FN5O/c1-21-6-5-19-17(21)13-22(7-8-24)11-14-10-20-23(12-14)16-4-2-3-15(18)9-16/h2-6,9-10,12,24H,7-8,11,13H2,1H3
InChIKeyZITILZWZXZJXTE-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.74
Rot. Bonds7

About 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 91774842) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID91774842
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C17H20FN5O/c1-21-6-5-19-17(21)13-22(7-8-24)11-14-10-20-23(12-14)16-4-2-3-15(18)9-16/h2-6,9-10,12,24H,7-8,11,13H2,1H3
InChIKeyZITILZWZXZJXTE-UHFFFAOYSA-N
XLogP1.74
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-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-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 91774842) is 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)Cc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is ZITILZWZXZJXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-21-6-5-19-17(21)13-22(7-8-24)11-14-10-20-23(12-14)16-4-2-3-15(18)9-16/h2-6,9-10,12,24H,7-8,11,13H2,1H3.
What are the key properties of 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 329.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 91774842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).