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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Related Compounds

3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
CID 114637265
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
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
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
CID 114636581
1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
CID 114636611
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435

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).