1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol

C11H20N2O2 — CID 105081848

IUPAC1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
SMILESCCn1cc(C(O)CC(C)COC)cn1
InChIInChI=1S/C11H20N2O2/c1-4-13-7-10(6-12-13)11(14)5-9(2)8-15-3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyMDRSVQYCBJUFPA-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.61
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol

1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol (PubChem CID 105081848) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
PubChem CID105081848
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
SMILESCCn1cc(C(O)CC(C)COC)cn1
InChIInChI=1S/C11H20N2O2/c1-4-13-7-10(6-12-13)11(14)5-9(2)8-15-3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyMDRSVQYCBJUFPA-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
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CID 55264385
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
[1-(1-ethylpyrazol-4-yl)-4-methoxybutyl]hydrazine
CID 105224988
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol (CID 105081848) is 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol is CCn1cc(C(O)CC(C)COC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is MDRSVQYCBJUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-13-7-10(6-12-13)11(14)5-9(2)8-15-3/h6-7,9,11,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol?
1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 105081848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).