4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol

C13H24N2O2 — CID 103028312

IUPAC4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H24N2O2/c1-9-12(10(2)15(5)14-9)11(16)7-8-13(3,4)17-6/h11,16H,7-8H2,1-6H3
InChIKeyXGJYKNOTDDTDGJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.28
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol

4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol (PubChem CID 103028312) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol
PubChem CID103028312
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H24N2O2/c1-9-12(10(2)15(5)14-9)11(16)7-8-13(3,4)17-6/h11,16H,7-8H2,1-6H3
InChIKeyXGJYKNOTDDTDGJ-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Cyclopropyl-1,4-dimethylpyrazol-3-yl)methanol
CID 163643911
[3-(1,1-Difluoroethyl)-1,5-dimethylpyrazol-4-yl]methanol;ethane
CID 145222067
[3-Ethyl-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 172593180
1-(1,3-Dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028340
5-Methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
1-(1,5-Dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028416
1-(3-Ethyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028477
[1-(3-Methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 103034923
1-(3-Tert-butyl-1-methylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035255
1-[3,5-Diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 103037074
1-[3,5-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]propan-1-ol
CID 55109030
1-[1-(2,2-Difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 62730900

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol (CID 103028312) is 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol is COC(C)(C)CCC(O)c1c(C)nn(C)c1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol?
The InChIKey is XGJYKNOTDDTDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-12(10(2)15(5)14-9)11(16)7-8-13(3,4)17-6/h11,16H,7-8H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol?
4-methoxy-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.28, 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-(1,3,5-trimethylpyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 103028312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).