(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol

C18H18N2O2 — CID 40793174

IUPAC(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](COc1ccc(-c2ccccc2)cc1)Cn1cccn1
InChIInChI=1S/C18H18N2O2/c21-17(13-20-12-4-11-19-20)14-22-18-9-7-16(8-10-18)15-5-2-1-3-6-15/h1-12,17,21H,13-14H2/t17-/m0/s1
InChIKeyRIIROORSERKJGA-KRWDZBQOSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds6

About (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol

(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 40793174) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
PubChem CID40793174
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](COc1ccc(-c2ccccc2)cc1)Cn1cccn1
InChIInChI=1S/C18H18N2O2/c21-17(13-20-12-4-11-19-20)14-22-18-9-7-16(8-10-18)15-5-2-1-3-6-15/h1-12,17,21H,13-14H2/t17-/m0/s1
InChIKeyRIIROORSERKJGA-KRWDZBQOSA-N
XLogP2.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
CID 167915136
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1-[3-(2-hydroxy-3-pyrazol-1-ylpropoxy)phenyl]ethanone
CID 109411614
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
(2S)-1-(3-nitrophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 97327143

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol (CID 40793174) is (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol is O[C@H](COc1ccc(-c2ccccc2)cc1)Cn1cccn1.
What is the InChIKey of (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is RIIROORSERKJGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(13-20-12-4-11-19-20)14-22-18-9-7-16(8-10-18)15-5-2-1-3-6-15/h1-12,17,21H,13-14H2/t17-/m0/s1.
What are the key properties of (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 294.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 40793174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).