[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol

C13H22N2O2 — CID 66060304

IUPAC[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol
SMILESCCc1cc(CC2(CO)CCCOC2)n(C)n1
InChIInChI=1S/C13H22N2O2/c1-3-11-7-12(15(2)14-11)8-13(9-16)5-4-6-17-10-13/h7,16H,3-6,8-10H2,1-2H3
InChIKeyCXWLAKZRYKVRPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.31
Rot. Bonds4

About [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol

[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol (PubChem CID 66060304) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol
PubChem CID66060304
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol
SMILESCCc1cc(CC2(CO)CCCOC2)n(C)n1
InChIInChI=1S/C13H22N2O2/c1-3-11-7-12(15(2)14-11)8-13(9-16)5-4-6-17-10-13/h7,16H,3-6,8-10H2,1-2H3
InChIKeyCXWLAKZRYKVRPQ-UHFFFAOYSA-N
XLogP1.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol?
The IUPAC name of [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol (CID 66060304) is [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol is CCc1cc(CC2(CO)CCCOC2)n(C)n1.
What is the InChIKey of [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol?
The InChIKey is CXWLAKZRYKVRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-11-7-12(15(2)14-11)8-13(9-16)5-4-6-17-10-13/h7,16H,3-6,8-10H2,1-2H3.
What are the key properties of [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol?
[3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethyl-1-methylpyrazol-5-yl)methyl]oxan-3-yl]methanol is sourced from PubChem (CID 66060304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).