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

C14H16BrClN2O2 — CID 102948392

IUPAC1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1nn(C)c(Cl)c1COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C14H16BrClN2O2/c1-8-12(14(16)18(3)17-8)7-20-13-6-10(15)4-5-11(13)9(2)19/h4-6,9,19H,7H2,1-3H3
InChIKeyXJEDSLSVCSJOEG-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.78
Rot. Bonds4

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

1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 102948392) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
PubChem CID102948392
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
SMILESCc1nn(C)c(Cl)c1COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C14H16BrClN2O2/c1-8-12(14(16)18(3)17-8)7-20-13-6-10(15)4-5-11(13)9(2)19/h4-6,9,19H,7H2,1-3H3
InChIKeyXJEDSLSVCSJOEG-UHFFFAOYSA-N
XLogP3.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 102946771
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104
(1S)-1-[5-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862018
5-chloro-1,3-dimethyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrazole
CID 60796615
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
1-(4-bromo-2-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035188
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol (CID 102948392) is 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol is Cc1nn(C)c(Cl)c1COc1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is XJEDSLSVCSJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-8-12(14(16)18(3)17-8)7-20-13-6-10(15)4-5-11(13)9(2)19/h4-6,9,19H,7H2,1-3H3.
What are the key properties of 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 359.65 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).