4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol

C13H22N2O3 — CID 114635857

IUPAC4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
SMILESCCn1ncc(OC)c1C1(O)CCOC(C)(C)C1
InChIInChI=1S/C13H22N2O3/c1-5-15-11(10(17-4)8-14-15)13(16)6-7-18-12(2,3)9-13/h8,16H,5-7,9H2,1-4H3
InChIKeyCGLNHAAHSCXCIJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.69
Rot. Bonds3

About 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol

4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol (PubChem CID 114635857) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
PubChem CID114635857
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
SMILESCCn1ncc(OC)c1C1(O)CCOC(C)(C)C1
InChIInChI=1S/C13H22N2O3/c1-5-15-11(10(17-4)8-14-15)13(16)6-7-18-12(2,3)9-13/h8,16H,5-7,9H2,1-4H3
InChIKeyCGLNHAAHSCXCIJ-UHFFFAOYSA-N
XLogP1.69
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethyloxan-4-ol
CID 114635847
2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635866
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633162
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
CID 114636327
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635862
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635852
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635870
1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429844
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-1,2-dimethylpiperidin-4-ol
CID 114637385

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol?
The IUPAC name of 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol (CID 114635857) is 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol.
What is the SMILES notation for 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol?
The canonical SMILES for 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol is CCn1ncc(OC)c1C1(O)CCOC(C)(C)C1.
What is the InChIKey of 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol?
The InChIKey is CGLNHAAHSCXCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-15-11(10(17-4)8-14-15)13(16)6-7-18-12(2,3)9-13/h8,16H,5-7,9H2,1-4H3.
What are the key properties of 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol?
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol has a molecular weight of 254.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 114635857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).