(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol

C14H16Br2N2O2 — CID 79025773

IUPAC(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1nn(C)c(COc2ccc(Br)cc2[C@H](C)O)c1Br
InChIInChI=1S/C14H16Br2N2O2/c1-8-14(16)12(18(3)17-8)7-20-13-5-4-10(15)6-11(13)9(2)19/h4-6,9,19H,7H2,1-3H3/t9-/m0/s1
InChIKeyCHVAAWIFUXFRON-VIFPVBQESA-N
MW404.10 g/mol
LogP3.89
Rot. Bonds4

About (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol

(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol (PubChem CID 79025773) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
PubChem CID79025773
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
SMILESCc1nn(C)c(COc2ccc(Br)cc2[C@H](C)O)c1Br
InChIInChI=1S/C14H16Br2N2O2/c1-8-14(16)12(18(3)17-8)7-20-13-5-4-10(15)6-11(13)9(2)19/h4-6,9,19H,7H2,1-3H3/t9-/m0/s1
InChIKeyCHVAAWIFUXFRON-VIFPVBQESA-N
XLogP3.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol with MolForge

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Related Compounds

(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025715
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025659
4-bromo-5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 107667685
1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102948392
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1R)-1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025770
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol (CID 79025773) is (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol is Cc1nn(C)c(COc2ccc(Br)cc2[C@H](C)O)c1Br.
What is the InChIKey of (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
The InChIKey is CHVAAWIFUXFRON-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-8-14(16)12(18(3)17-8)7-20-13-5-4-10(15)6-11(13)9(2)19/h4-6,9,19H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol has a molecular weight of 404.10 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79025773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).