1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol

C11H11BrFN3O — CID 65362157

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3O/c12-7-1-2-9(13)6(3-7)4-10(17)8-5-15-16-11(8)14/h1-3,5,10,17H,4H2,(H3,14,15,16)
InChIKeyYEXURSFBSUQHLX-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.17
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol

1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol (PubChem CID 65362157) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
PubChem CID65362157
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3O/c12-7-1-2-9(13)6(3-7)4-10(17)8-5-15-16-11(8)14/h1-3,5,10,17H,4H2,(H3,14,15,16)
InChIKeyYEXURSFBSUQHLX-UHFFFAOYSA-N
XLogP2.17
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
CID 65361725
1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65362046
4-[2-(4-bromo-2-fluorophenyl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231027
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65361780
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol (CID 65362157) is 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol is Nc1[nH]ncc1C(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol?
The InChIKey is YEXURSFBSUQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c12-7-1-2-9(13)6(3-7)4-10(17)8-5-15-16-11(8)14/h1-3,5,10,17H,4H2,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol has a molecular weight of 300.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(5-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 65362157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).