ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine

C14H21N3O — CID 176693071

IUPACethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine
SMILESCC.CC(C)c1ccc(Oc2cnn(C)c2)nc1
InChIInChI=1S/C12H15N3O.C2H6/c1-9(2)10-4-5-12(13-6-10)16-11-7-14-15(3)8-11;1-2/h4-9H,1-3H3;1-2H3
InChIKeyFKOWRYJJGKIQGW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.76
Rot. Bonds3

About ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine

ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine (PubChem CID 176693071) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine
PubChem CID176693071
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Nameethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine
SMILESCC.CC(C)c1ccc(Oc2cnn(C)c2)nc1
InChIInChI=1S/C12H15N3O.C2H6/c1-9(2)10-4-5-12(13-6-10)16-11-7-14-15(3)8-11;1-2/h4-9H,1-3H3;1-2H3
InChIKeyFKOWRYJJGKIQGW-UHFFFAOYSA-N
XLogP3.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine?
The IUPAC name of ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine (CID 176693071) is ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine.
What is the SMILES notation for ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine?
The canonical SMILES for ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine is CC.CC(C)c1ccc(Oc2cnn(C)c2)nc1.
What is the InChIKey of ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine?
The InChIKey is FKOWRYJJGKIQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.C2H6/c1-9(2)10-4-5-12(13-6-10)16-11-7-14-15(3)8-11;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine?
ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine has a molecular weight of 247.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine is sourced from PubChem (CID 176693071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).