[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol

C11H18N2O2 — CID 79595799

IUPAC[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
SMILESCc1c(C2OCCCC2CO)cnn1C
InChIInChI=1S/C11H18N2O2/c1-8-10(6-12-13(8)2)11-9(7-14)4-3-5-15-11/h6,9,11,14H,3-5,7H2,1-2H3
InChIKeyIFLGZAUBAGIORB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.19
Rot. Bonds2

About [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol

[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol (PubChem CID 79595799) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
PubChem CID79595799
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
SMILESCc1c(C2OCCCC2CO)cnn1C
InChIInChI=1S/C11H18N2O2/c1-8-10(6-12-13(8)2)11-9(7-14)4-3-5-15-11/h6,9,11,14H,3-5,7H2,1-2H3
InChIKeyIFLGZAUBAGIORB-UHFFFAOYSA-N
XLogP1.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol?
The IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol (CID 79595799) is [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol.
What is the SMILES notation for [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol?
The canonical SMILES for [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol is Cc1c(C2OCCCC2CO)cnn1C.
What is the InChIKey of [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol?
The InChIKey is IFLGZAUBAGIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-10(6-12-13(8)2)11-9(7-14)4-3-5-15-11/h6,9,11,14H,3-5,7H2,1-2H3.
What are the key properties of [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol?
[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol is sourced from PubChem (CID 79595799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).