(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol

C20H22N2O3 — CID 29257356

IUPAC(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cccc(-c3ccn(C[C@H](C)O)n3)c2)cc1OC
InChIInChI=1S/C20H22N2O3/c1-14(23)13-22-10-9-18(21-22)17-6-4-5-15(11-17)16-7-8-19(24-2)20(12-16)25-3/h4-12,14,23H,13H2,1-3H3/t14-/m0/s1
InChIKeyXJKXEBPJHYERRQ-AWEZNQCLSA-N
MW338.41 g/mol
LogP3.62
Rot. Bonds6

About (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol

(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol (PubChem CID 29257356) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
PubChem CID29257356
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cccc(-c3ccn(C[C@H](C)O)n3)c2)cc1OC
InChIInChI=1S/C20H22N2O3/c1-14(23)13-22-10-9-18(21-22)17-6-4-5-15(11-17)16-7-8-19(24-2)20(12-16)25-3/h4-12,14,23H,13H2,1-3H3/t14-/m0/s1
InChIKeyXJKXEBPJHYERRQ-AWEZNQCLSA-N
XLogP3.62
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
CID 29068891
1-[5-[3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]phenyl]thiophen-2-yl]ethanone
CID 29211216
1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127298
(2R)-1-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]butan-2-ol
CID 28734619
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-propan-2-ylpyrazole
CID 122658507
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol
CID 28738019
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95394973
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95394900

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol (CID 29257356) is (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol is COc1ccc(-c2cccc(-c3ccn(C[C@H](C)O)n3)c2)cc1OC.
What is the InChIKey of (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol?
The InChIKey is XJKXEBPJHYERRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(23)13-22-10-9-18(21-22)17-6-4-5-15(11-17)16-7-8-19(24-2)20(12-16)25-3/h4-12,14,23H,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol?
(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol has a molecular weight of 338.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 29257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).