1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol

C12H22N2O2 — CID 103027581

IUPAC1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1cc(C)nn1C
InChIInChI=1S/C12H22N2O2/c1-9-6-10(14(4)13-9)7-11(15)8-12(2,3)16-5/h6,11,15H,7-8H2,1-5H3
InChIKeyGSNUNGFSKIJLTA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.45
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol

1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol (PubChem CID 103027581) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
PubChem CID103027581
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1cc(C)nn1C
InChIInChI=1S/C12H22N2O2/c1-9-6-10(14(4)13-9)7-11(15)8-12(2,3)16-5/h6,11,15H,7-8H2,1-5H3
InChIKeyGSNUNGFSKIJLTA-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 115811610
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79198502
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115811618
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
CID 114255634
1-(3,5-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027420
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol (CID 103027581) is 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol is COC(C)(C)CC(O)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
The InChIKey is GSNUNGFSKIJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-6-10(14(4)13-9)7-11(15)8-12(2,3)16-5/h6,11,15H,7-8H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol?
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 103027581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).