[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol

C8H14N2O2 — CID 138603081

IUPAC[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCOCc1c(CO)c(C)nn1C
InChIInChI=1S/C8H14N2O2/c1-6-7(4-11)8(5-12-3)10(2)9-6/h11H,4-5H2,1-3H3
InChIKeyYKJYLEAAWNNHDM-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.37
Rot. Bonds3

About [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol

[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 138603081) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID138603081
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCOCc1c(CO)c(C)nn1C
InChIInChI=1S/C8H14N2O2/c1-6-7(4-11)8(5-12-3)10(2)9-6/h11H,4-5H2,1-3H3
InChIKeyYKJYLEAAWNNHDM-UHFFFAOYSA-N
XLogP0.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62245433
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 62194679
3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137328
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
3-bromo-5-(methoxymethyl)-1-methylpyrazole-4-carboxylic acid
CID 83912980
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol (CID 138603081) is [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol is COCc1c(CO)c(C)nn1C.
What is the InChIKey of [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is YKJYLEAAWNNHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-7(4-11)8(5-12-3)10(2)9-6/h11H,4-5H2,1-3H3.
What are the key properties of [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 138603081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).