1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol

C23H27N3O3 — CID 176503307

IUPAC1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc2cc(-c3cnn(C4CC4)c3)ccc2c1)CN1CCOCC1
InChIInChI=1S/C23H27N3O3/c27-22(15-25-7-9-28-10-8-25)16-29-23-6-3-17-11-18(1-2-19(17)12-23)20-13-24-26(14-20)21-4-5-21/h1-3,6,11-14,21-22,27H,4-5,7-10,15-16H2
InChIKeyXIKBTPVLPTWUMX-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.11
Rot. Bonds7

About 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol

1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 176503307) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID176503307
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc2cc(-c3cnn(C4CC4)c3)ccc2c1)CN1CCOCC1
InChIInChI=1S/C23H27N3O3/c27-22(15-25-7-9-28-10-8-25)16-29-23-6-3-17-11-18(1-2-19(17)12-23)20-13-24-26(14-20)21-4-5-21/h1-3,6,11-14,21-22,27H,4-5,7-10,15-16H2
InChIKeyXIKBTPVLPTWUMX-UHFFFAOYSA-N
XLogP3.11
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743
1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
CID 2740135
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
CID 19861844
4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
CID 86763298

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol (CID 176503307) is 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol is OC(COc1ccc2cc(-c3cnn(C4CC4)c3)ccc2c1)CN1CCOCC1.
What is the InChIKey of 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XIKBTPVLPTWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(15-25-7-9-28-10-8-25)16-29-23-6-3-17-11-18(1-2-19(17)12-23)20-13-24-26(14-20)21-4-5-21/h1-3,6,11-14,21-22,27H,4-5,7-10,15-16H2.
What are the key properties of 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol?
1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 393.49 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-cyclopropylpyrazol-4-yl)naphthalen-2-yl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 176503307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).