3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol

C11H20N2O2 — CID 81218101

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol
SMILESCc1cc(COCC(C)(C)CO)n(C)n1
InChIInChI=1S/C11H20N2O2/c1-9-5-10(13(4)12-9)6-15-8-11(2,3)7-14/h5,14H,6-8H2,1-4H3
InChIKeyJHKYASYJFWDXCX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds5

About 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol

3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol (PubChem CID 81218101) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol
PubChem CID81218101
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol
SMILESCc1cc(COCC(C)(C)CO)n(C)n1
InChIInChI=1S/C11H20N2O2/c1-9-5-10(13(4)12-9)6-15-8-11(2,3)7-14/h5,14H,6-8H2,1-4H3
InChIKeyJHKYASYJFWDXCX-UHFFFAOYSA-N
XLogP1.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylbutan-1-ol
CID 66058323
2,2-dimethyl-3-[(2-methyltetrazol-5-yl)methoxy]propan-1-ol
CID 107046229
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-propylpropane-1,3-diol
CID 79450371
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79887881
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 79389441
3-[(2,5-dimethylpyrazol-3-yl)methyl]thietan-3-ol
CID 131124030
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506636

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol (CID 81218101) is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol is Cc1cc(COCC(C)(C)CO)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol?
The InChIKey is JHKYASYJFWDXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9-5-10(13(4)12-9)6-15-8-11(2,3)7-14/h5,14H,6-8H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol?
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81218101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).