1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol

C14H16BrFN2O — CID 114642960

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
SMILESCCCn1ncc(Br)c1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16BrFN2O/c1-2-7-18-14(12(15)9-17-18)13(19)8-10-3-5-11(16)6-4-10/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyXDGZVDREGRDEEJ-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol

1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol (PubChem CID 114642960) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
PubChem CID114642960
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
SMILESCCCn1ncc(Br)c1C(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H16BrFN2O/c1-2-7-18-14(12(15)9-17-18)13(19)8-10-3-5-11(16)6-4-10/h3-6,9,13,19H,2,7-8H2,1H3
InChIKeyXDGZVDREGRDEEJ-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

1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647437
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
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
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
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
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114643865
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol (CID 114642960) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol is CCCn1ncc(Br)c1C(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol?
The InChIKey is XDGZVDREGRDEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-2-7-18-14(12(15)9-17-18)13(19)8-10-3-5-11(16)6-4-10/h3-6,9,13,19H,2,7-8H2,1H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)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 1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 114642960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).