5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine

C18H25N3O2 — CID 90427359

IUPAC5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine
SMILESCCn1nccc1C1CCCCC1COc1ccc(OC)nc1
InChIInChI=1S/C18H25N3O2/c1-3-21-17(10-11-20-21)16-7-5-4-6-14(16)13-23-15-8-9-18(22-2)19-12-15/h8-12,14,16H,3-7,13H2,1-2H3
InChIKeyRREKNRWQDBCWCS-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.66
Rot. Bonds6

About 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine

5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine (PubChem CID 90427359) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine.

Molecular Properties

Compound Name5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine
PubChem CID90427359
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine
SMILESCCn1nccc1C1CCCCC1COc1ccc(OC)nc1
InChIInChI=1S/C18H25N3O2/c1-3-21-17(10-11-20-21)16-7-5-4-6-14(16)13-23-15-8-9-18(22-2)19-12-15/h8-12,14,16H,3-7,13H2,1-2H3
InChIKeyRREKNRWQDBCWCS-UHFFFAOYSA-N
XLogP3.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine?
The IUPAC name of 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine (CID 90427359) is 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine.
What is the SMILES notation for 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine?
The canonical SMILES for 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine is CCn1nccc1C1CCCCC1COc1ccc(OC)nc1.
What is the InChIKey of 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine?
The InChIKey is RREKNRWQDBCWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-21-17(10-11-20-21)16-7-5-4-6-14(16)13-23-15-8-9-18(22-2)19-12-15/h8-12,14,16H,3-7,13H2,1-2H3.
What are the key properties of 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine?
5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine has a molecular weight of 315.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-2-methoxypyridine is sourced from PubChem (CID 90427359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).