4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol

C11H20N2O4 — CID 114636581

IUPAC4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
SMILESCOc1cnn(C)c1C(C)(O)CC(OC)OC
InChIInChI=1S/C11H20N2O4/c1-11(14,6-9(16-4)17-5)10-8(15-3)7-12-13(10)2/h7,9,14H,6H2,1-5H3
InChIKeyQZYWZHOVTSYMGL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.65
Rot. Bonds6

About 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol

4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol (PubChem CID 114636581) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
PubChem CID114636581
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
SMILESCOc1cnn(C)c1C(C)(O)CC(OC)OC
InChIInChI=1S/C11H20N2O4/c1-11(14,6-9(16-4)17-5)10-8(15-3)7-12-13(10)2/h7,9,14H,6H2,1-5H3
InChIKeyQZYWZHOVTSYMGL-UHFFFAOYSA-N
XLogP0.65
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-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

1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
CID 114636611
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592
2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)propanal
CID 114636624
4,4-dimethoxy-2-(3-methyltriazol-4-yl)butan-2-ol
CID 114685140
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
1-cyclopropyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114637080
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
4-[1-hydroxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]benzonitrile
CID 114637601
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol?
The IUPAC name of 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol (CID 114636581) is 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol.
What is the SMILES notation for 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol?
The canonical SMILES for 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol is COc1cnn(C)c1C(C)(O)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol?
The InChIKey is QZYWZHOVTSYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(14,6-9(16-4)17-5)10-8(15-3)7-12-13(10)2/h7,9,14H,6H2,1-5H3.
What are the key properties of 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol?
4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol has a molecular weight of 244.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol is sourced from PubChem (CID 114636581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).