4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol

C11H20N2O2 — CID 103035486

IUPAC4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccn(C)n1
InChIInChI=1S/C11H20N2O2/c1-11(2,15-4)7-5-10(14)9-6-8-13(3)12-9/h6,8,10,14H,5,7H2,1-4H3
InChIKeyIJZRDQCEHSWQKG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.66
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol

4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol (PubChem CID 103035486) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol
PubChem CID103035486
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1ccn(C)n1
InChIInChI=1S/C11H20N2O2/c1-11(2,15-4)7-5-10(14)9-6-8-13(3)12-9/h6,8,10,14H,5,7H2,1-4H3
InChIKeyIJZRDQCEHSWQKG-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol (CID 103035486) is 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol is COC(C)(C)CCC(O)c1ccn(C)n1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol?
The InChIKey is IJZRDQCEHSWQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,15-4)7-5-10(14)9-6-8-13(3)12-9/h6,8,10,14H,5,7H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol?
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol is sourced from PubChem (CID 103035486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).