3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol

C10H18N2O3 — CID 114637264

IUPAC3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCOc1cnn(C)c1OCC(C)(C)CO
InChIInChI=1S/C10H18N2O3/c1-10(2,6-13)7-15-9-8(14-4)5-11-12(9)3/h5,13H,6-7H2,1-4H3
InChIKeyQPHJIWKIMCQDMF-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.83
Rot. Bonds5

About 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol

3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol (PubChem CID 114637264) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
PubChem CID114637264
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCOc1cnn(C)c1OCC(C)(C)CO
InChIInChI=1S/C10H18N2O3/c1-10(2,6-13)7-15-9-8(14-4)5-11-12(9)3/h5,13H,6-7H2,1-4H3
InChIKeyQPHJIWKIMCQDMF-UHFFFAOYSA-N
XLogP0.83
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol (CID 114637264) is 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol is COc1cnn(C)c1OCC(C)(C)CO.
What is the InChIKey of 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
The InChIKey is QPHJIWKIMCQDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,6-13)7-15-9-8(14-4)5-11-12(9)3/h5,13H,6-7H2,1-4H3.
What are the key properties of 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol?
3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol has a molecular weight of 214.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-methylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 114637264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).