1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol

C19H20N2O3 — CID 141127298

IUPAC1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
SMILESCOc1ccccc1OCC(O)Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C19H20N2O3/c1-23-18-9-5-6-10-19(18)24-14-16(22)13-21-12-11-17(20-21)15-7-3-2-4-8-15/h2-12,16,22H,13-14H2,1H3
InChIKeyTUOPHRFIFHHSHJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.00
Rot. Bonds7

About 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol

1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol (PubChem CID 141127298) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
PubChem CID141127298
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
SMILESCOc1ccccc1OCC(O)Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C19H20N2O3/c1-23-18-9-5-6-10-19(18)24-14-16(22)13-21-12-11-17(20-21)15-7-3-2-4-8-15/h2-12,16,22H,13-14H2,1H3
InChIKeyTUOPHRFIFHHSHJ-UHFFFAOYSA-N
XLogP3.00
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-nitrophenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127289
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
CID 144959097
1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432701
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
CID 29257356
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 10359060
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol (CID 141127298) is 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol is COc1ccccc1OCC(O)Cn1ccc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol?
The InChIKey is TUOPHRFIFHHSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-18-9-5-6-10-19(18)24-14-16(22)13-21-12-11-17(20-21)15-7-3-2-4-8-15/h2-12,16,22H,13-14H2,1H3.
What are the key properties of 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol?
1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol has a molecular weight of 324.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 141127298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).