4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol

C13H23N3O2 — CID 81131226

IUPAC4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCC(C)n1ccc(CNCC2(O)CCOCC2)n1
InChIInChI=1S/C13H23N3O2/c1-11(2)16-6-3-12(15-16)9-14-10-13(17)4-7-18-8-5-13/h3,6,11,14,17H,4-5,7-10H2,1-2H3
InChIKeyAUSXLHDTSLFWLW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.10
Rot. Bonds5

About 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol

4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81131226) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
PubChem CID81131226
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCC(C)n1ccc(CNCC2(O)CCOCC2)n1
InChIInChI=1S/C13H23N3O2/c1-11(2)16-6-3-12(15-16)9-14-10-13(17)4-7-18-8-5-13/h3,6,11,14,17H,4-5,7-10H2,1-2H3
InChIKeyAUSXLHDTSLFWLW-UHFFFAOYSA-N
XLogP1.10
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 115455618
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 103969206
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxane-4-carboxylic acid
CID 64773303
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]oxan-4-ol
CID 79032623
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
1-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771808
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 64771405
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
4-[[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81133889

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol (CID 81131226) is 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol is CC(C)n1ccc(CNCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is AUSXLHDTSLFWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)16-6-3-12(15-16)9-14-10-13(17)4-7-18-8-5-13/h3,6,11,14,17H,4-5,7-10H2,1-2H3.
What are the key properties of 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 253.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).