2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol

C14H16BrFN2O — CID 114556932

IUPAC2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H16BrFN2O/c1-2-7-18-13(5-6-17-18)14(19)8-10-3-4-11(15)9-12(10)16/h3-6,9,14,19H,2,7-8H2,1H3
InChIKeyZPVOXNCCWFUBSK-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 114556932) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID114556932
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C14H16BrFN2O/c1-2-7-18-13(5-6-17-18)14(19)8-10-3-4-11(15)9-12(10)16/h3-6,9,14,19H,2,7-8H2,1H3
InChIKeyZPVOXNCCWFUBSK-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556975
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
(3-bromo-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63974840
4-methylsulfanyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 103089922
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63977023
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol (CID 114556932) is 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is ZPVOXNCCWFUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-2-7-18-13(5-6-17-18)14(19)8-10-3-4-11(15)9-12(10)16/h3-6,9,14,19H,2,7-8H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114556932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).