1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

C12H22N2O2 — CID 103028340

IUPAC1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cn(C)nc1C
InChIInChI=1S/C12H22N2O2/c1-9-10(8-14(4)13-9)11(15)6-7-12(2,3)16-5/h8,11,15H,6-7H2,1-5H3
InChIKeyMAIIKZPOAAHLBG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.97
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol

1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028340) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028340
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cn(C)nc1C
InChIInChI=1S/C12H22N2O2/c1-9-10(8-14(4)13-9)11(15)6-7-12(2,3)16-5/h8,11,15H,6-7H2,1-5H3
InChIKeyMAIIKZPOAAHLBG-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028340) is 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is MAIIKZPOAAHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-10(8-14(4)13-9)11(15)6-7-12(2,3)16-5/h8,11,15H,6-7H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol?
1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).