(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol

C13H14BrClN2O2 — CID 97327165

IUPAC(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESO[C@H](COCc1ccccc1Cl)Cn1cc(Br)cn1
InChIInChI=1S/C13H14BrClN2O2/c14-11-5-16-17(6-11)7-12(18)9-19-8-10-3-1-2-4-13(10)15/h1-6,12,18H,7-9H2/t12-/m0/s1
InChIKeyHUKKDNPUASWAFM-LBPRGKRZSA-N
MW345.62 g/mol
LogP2.88
Rot. Bonds6

About (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol

(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol (PubChem CID 97327165) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
PubChem CID97327165
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESO[C@H](COCc1ccccc1Cl)Cn1cc(Br)cn1
InChIInChI=1S/C13H14BrClN2O2/c14-11-5-16-17(6-11)7-12(18)9-19-8-10-3-1-2-4-13(10)15/h1-6,12,18H,7-9H2/t12-/m0/s1
InChIKeyHUKKDNPUASWAFM-LBPRGKRZSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-chlorophenyl)methoxy]-3-[3-[(S)-methylsulfinyl]-1,2,4-triazol-1-yl]propan-2-ol
CID 97243358
1-[(2-fluorophenyl)methoxy]-3-(4-phenylpyrazol-1-yl)propan-2-ol
CID 109411586
1-(5-tert-butyl-1,2,4-triazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 167917495
1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868
(2R)-1-[(2-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol
CID 31578215
[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-di(propan-2-yl)azanium
CID 7830770
1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 109411726
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
CID 104809681
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-[(2-chlorophenyl)methoxy]-5-methylhexane-2,5-diol
CID 70569257

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol (CID 97327165) is (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol is O[C@H](COCc1ccccc1Cl)Cn1cc(Br)cn1.
What is the InChIKey of (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is HUKKDNPUASWAFM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c14-11-5-16-17(6-11)7-12(18)9-19-8-10-3-1-2-4-13(10)15/h1-6,12,18H,7-9H2/t12-/m0/s1.
What are the key properties of (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
(2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 345.62 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromopyrazol-1-yl)-3-[(2-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 97327165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).