(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol

C8H10BrF3N2O — CID 104940519

IUPAC(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
SMILESCCCn1ncc(Br)c1[C@H](O)C(F)(F)F
InChIInChI=1S/C8H10BrF3N2O/c1-2-3-14-6(5(9)4-13-14)7(15)8(10,11)12/h4,7,15H,2-3H2,1H3/t7-/m0/s1
InChIKeyLOSAGAJIWIECII-ZETCQYMHSA-N
MW287.08 g/mol
LogP2.65
Rot. Bonds3

About (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol

(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol (PubChem CID 104940519) has the molecular formula C8H10BrF3N2O and a molecular weight of 287.08 g/mol. Its IUPAC name is (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
PubChem CID104940519
Molecular FormulaC8H10BrF3N2O
Molecular Weight287.08 g/mol
Exact Mass285.99
IUPAC Name(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
SMILESCCCn1ncc(Br)c1[C@H](O)C(F)(F)F
InChIInChI=1S/C8H10BrF3N2O/c1-2-3-14-6(5(9)4-13-14)7(15)8(10,11)12/h4,7,15H,2-3H2,1H3/t7-/m0/s1
InChIKeyLOSAGAJIWIECII-ZETCQYMHSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.08
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethyl-2-methoxybutan-1-ol
CID 114645774
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648482
3-(4-bromo-1-propylpyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667939
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
CID 115835053
(4-bromo-1-propylpyrazol-5-yl)-(3-propylimidazol-4-yl)methanol
CID 114636681

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol (CID 104940519) is (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol is CCCn1ncc(Br)c1[C@H](O)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol?
The InChIKey is LOSAGAJIWIECII-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10BrF3N2O/c1-2-3-14-6(5(9)4-13-14)7(15)8(10,11)12/h4,7,15H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol?
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol has a molecular weight of 287.08 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 104940519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).