2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol

C15H27N3O2 — CID 79929225

IUPAC2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol
SMILESCN(Cc1cnn(C)c1)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H27N3O2/c1-14(2)12(13(19)15(3,4)20-14)10-17(5)8-11-7-16-18(6)9-11/h7,9,12-13,19H,8,10H2,1-6H3
InChIKeyUHJGTNOYSTYVHZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.42
Rot. Bonds4

About 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol

2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol (PubChem CID 79929225) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol
PubChem CID79929225
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol
SMILESCN(Cc1cnn(C)c1)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H27N3O2/c1-14(2)12(13(19)15(3,4)20-14)10-17(5)8-11-7-16-18(6)9-11/h7,9,12-13,19H,8,10H2,1-6H3
InChIKeyUHJGTNOYSTYVHZ-UHFFFAOYSA-N
XLogP1.42
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol (CID 79929225) is 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol is CN(Cc1cnn(C)c1)CC1C(O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol?
The InChIKey is UHJGTNOYSTYVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-14(2)12(13(19)15(3,4)20-14)10-17(5)8-11-7-16-18(6)9-11/h7,9,12-13,19H,8,10H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol?
2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol has a molecular weight of 281.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 79929225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).