[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol

C12H22N2O2 — CID 103034923

IUPAC[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCOC(C)(C)CCn1nc(C)c(CO)c1C
InChIInChI=1S/C12H22N2O2/c1-9-11(8-15)10(2)14(13-9)7-6-12(3,4)16-5/h15H,6-8H2,1-5H3
InChIKeyXKRSNCISAAPZCN-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.81
Rot. Bonds5

About [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol

[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 103034923) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID103034923
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCOC(C)(C)CCn1nc(C)c(CO)c1C
InChIInChI=1S/C12H22N2O2/c1-9-11(8-15)10(2)14(13-9)7-6-12(3,4)16-5/h15H,6-8H2,1-5H3
InChIKeyXKRSNCISAAPZCN-UHFFFAOYSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol (CID 103034923) is [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol is COC(C)(C)CCn1nc(C)c(CO)c1C.
What is the InChIKey of [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is XKRSNCISAAPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-11(8-15)10(2)14(13-9)7-6-12(3,4)16-5/h15H,6-8H2,1-5H3.
What are the key properties of [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol?
[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 226.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 103034923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).