1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol

C14H15BrF2N2O — CID 115835068

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
SMILESCCCn1ncc(Br)c1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C14H15BrF2N2O/c1-2-6-19-14(10(15)8-18-19)13(20)7-9-11(16)4-3-5-12(9)17/h3-5,8,13,20H,2,6-7H2,1H3
InChIKeyWSNWINXRNSYRFA-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.61
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol

1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol (PubChem CID 115835068) has the molecular formula C14H15BrF2N2O and a molecular weight of 345.19 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
PubChem CID115835068
Molecular FormulaC14H15BrF2N2O
Molecular Weight345.19 g/mol
Exact Mass344.03
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
SMILESCCCn1ncc(Br)c1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C14H15BrF2N2O/c1-2-6-19-14(10(15)8-18-19)13(20)7-9-11(16)4-3-5-12(9)17/h3-5,8,13,20H,2,6-7H2,1H3
InChIKeyWSNWINXRNSYRFA-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)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-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645127
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
CID 105336611
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 114643528
1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol (CID 115835068) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol is CCCn1ncc(Br)c1C(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
The InChIKey is WSNWINXRNSYRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2O/c1-2-6-19-14(10(15)8-18-19)13(20)7-9-11(16)4-3-5-12(9)17/h3-5,8,13,20H,2,6-7H2,1H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol has a molecular weight of 345.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 115835068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).