(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol

C15H19BrN2O2 — CID 79025659

IUPAC(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCn1nc(C)cc1COc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C15H19BrN2O2/c1-4-18-13(7-10(2)17-18)9-20-15-6-5-12(16)8-14(15)11(3)19/h5-8,11,19H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyYXUVFCVNZOMTEL-NSHDSACASA-N
MW339.23 g/mol
LogP3.61
Rot. Bonds5

About (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol

(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 79025659) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID79025659
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCn1nc(C)cc1COc1ccc(Br)cc1[C@H](C)O
InChIInChI=1S/C15H19BrN2O2/c1-4-18-13(7-10(2)17-18)9-20-15-6-5-12(16)8-14(15)11(3)19/h5-8,11,19H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyYXUVFCVNZOMTEL-NSHDSACASA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 79025693
(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 79025610
(1S)-1-[5-bromo-2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025773
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
CID 65369644
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 79025659) is (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol is CCn1nc(C)cc1COc1ccc(Br)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is YXUVFCVNZOMTEL-NSHDSACASA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-18-13(7-10(2)17-18)9-20-15-6-5-12(16)8-14(15)11(3)19/h5-8,11,19H,4,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 339.23 g/mol, XLogP of 3.61, 5 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-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79025659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).