4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol

C12H21N3O2 — CID 106757942

IUPAC4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-10(11-3-6-14-15(11)2)13-9-12(16)4-7-17-8-5-12/h3,6,10,13,16H,4-5,7-9H2,1-2H3
InChIKeyMMYAKSJDPREMRP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.61
Rot. Bonds4

About 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol

4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol (PubChem CID 106757942) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
PubChem CID106757942
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
SMILESCC(NCC1(O)CCOCC1)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-10(11-3-6-14-15(11)2)13-9-12(16)4-7-17-8-5-12/h3,6,10,13,16H,4-5,7-9H2,1-2H3
InChIKeyMMYAKSJDPREMRP-UHFFFAOYSA-N
XLogP0.61
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106757864
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131016
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 106756920
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842
4-[1-[(4-hydroxyoxan-4-yl)methylamino]ethyl]benzonitrile
CID 81131112
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol (CID 106757942) is 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol is CC(NCC1(O)CCOCC1)c1ccnn1C.
What is the InChIKey of 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol?
The InChIKey is MMYAKSJDPREMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(11-3-6-14-15(11)2)13-9-12(16)4-7-17-8-5-12/h3,6,10,13,16H,4-5,7-9H2,1-2H3.
What are the key properties of 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol?
4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol has a molecular weight of 239.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 106757942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).