(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol

C12H14N2O3 — CID 171439964

IUPAC(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
SMILESOC[C@@H](O)COc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H14N2O3/c15-8-11(16)9-17-12-4-2-10(3-5-12)14-7-1-6-13-14/h1-7,11,15-16H,8-9H2/t11-/m1/s1
InChIKeyNULMDLWEPUKHJU-LLVKDONJSA-N
MW234.26 g/mol
LogP0.60
Rot. Bonds5

About (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol

(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol (PubChem CID 171439964) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
PubChem CID171439964
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol
SMILESOC[C@@H](O)COc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H14N2O3/c15-8-11(16)9-17-12-4-2-10(3-5-12)14-7-1-6-13-14/h1-7,11,15-16H,8-9H2/t11-/m1/s1
InChIKeyNULMDLWEPUKHJU-LLVKDONJSA-N
XLogP0.60
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-pyrazol-1-ylphenoxy)methyl]phenyl]methanol
CID 110006014
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
1-[4-(4-methylpyrazol-1-yl)phenoxy]-3-pyrazol-1-ylpropan-2-ol
CID 167915136
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-(4-hexoxyphenyl)pyrazole
CID 67650161
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
1-[4-[(4-ethenylphenoxy)methyl]phenyl]pyrazole
CID 102507741
2-(4-pyrazol-1-ylphenoxy)ethylcarbamic acid
CID 18532928
3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-4-hydroxy-1H-imidazol-2-one
CID 91018538
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol?
The IUPAC name of (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol (CID 171439964) is (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol?
The canonical SMILES for (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol is OC[C@@H](O)COc1ccc(-n2cccn2)cc1.
What is the InChIKey of (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol?
The InChIKey is NULMDLWEPUKHJU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-8-11(16)9-17-12-4-2-10(3-5-12)14-7-1-6-13-14/h1-7,11,15-16H,8-9H2/t11-/m1/s1.
What are the key properties of (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol?
(2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol has a molecular weight of 234.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-pyrazol-1-ylphenoxy)propane-1,2-diol is sourced from PubChem (CID 171439964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).