1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol

C20H23N3O2 — CID 109411907

IUPAC1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)Cn1nccc1-c1ccncc1
InChIInChI=1S/C20H23N3O2/c1-15(2)18-5-3-4-6-20(18)25-14-17(24)13-23-19(9-12-22-23)16-7-10-21-11-8-16/h3-12,15,17,24H,13-14H2,1-2H3
InChIKeyRPXAJXKXSRSFPS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.51
Rot. Bonds7

About 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol

1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol (PubChem CID 109411907) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
PubChem CID109411907
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)Cn1nccc1-c1ccncc1
InChIInChI=1S/C20H23N3O2/c1-15(2)18-5-3-4-6-20(18)25-14-17(24)13-23-19(9-12-22-23)16-7-10-21-11-8-16/h3-12,15,17,24H,13-14H2,1-2H3
InChIKeyRPXAJXKXSRSFPS-UHFFFAOYSA-N
XLogP3.51
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
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CID 3488317
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 46529535
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4877000
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
1-(3-nitro-1,2,4-triazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109412235
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
(3aR,7aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51642300
1-(2-methylpropoxy)-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol (CID 109411907) is 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol is CC(C)c1ccccc1OCC(O)Cn1nccc1-c1ccncc1.
What is the InChIKey of 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is RPXAJXKXSRSFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(2)18-5-3-4-6-20(18)25-14-17(24)13-23-19(9-12-22-23)16-7-10-21-11-8-16/h3-12,15,17,24H,13-14H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol?
1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 337.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).