1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol

C13H17N3O2 — CID 105129886

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCOc1cnn(C)c1C(O)CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-16-13(12(18-2)9-15-16)11(17)4-3-10-5-7-14-8-6-10/h5-9,11,17H,3-4H2,1-2H3
InChIKeyWKUHIVBEMYONCB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.49
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol

1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol (PubChem CID 105129886) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
PubChem CID105129886
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCOc1cnn(C)c1C(O)CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-16-13(12(18-2)9-15-16)11(17)4-3-10-5-7-14-8-6-10/h5-9,11,17H,3-4H2,1-2H3
InChIKeyWKUHIVBEMYONCB-UHFFFAOYSA-N
XLogP1.49
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
CID 105130023
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-4-ylpropan-1-ol
CID 105132599
1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
CID 114635516
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 105122276
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol (CID 105129886) is 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol is COc1cnn(C)c1C(O)CCc1ccncc1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol?
The InChIKey is WKUHIVBEMYONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-13(12(18-2)9-15-16)11(17)4-3-10-5-7-14-8-6-10/h5-9,11,17H,3-4H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol?
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 105129886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).