4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol

C12H21N3O2 — CID 81130976

IUPAC4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCc1cc(CNCC2(O)CCOCC2)n(C)n1
InChIInChI=1S/C12H21N3O2/c1-10-7-11(15(2)14-10)8-13-9-12(16)3-5-17-6-4-12/h7,13,16H,3-6,8-9H2,1-2H3
InChIKeyJDMSPVFQZYEWIY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.36
Rot. Bonds4

About 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol

4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81130976) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
PubChem CID81130976
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
SMILESCc1cc(CNCC2(O)CCOCC2)n(C)n1
InChIInChI=1S/C12H21N3O2/c1-10-7-11(15(2)14-10)8-13-9-12(16)3-5-17-6-4-12/h7,13,16H,3-6,8-9H2,1-2H3
InChIKeyJDMSPVFQZYEWIY-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]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-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848451
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81131226
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765587
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
CID 78929055
3-[(2,5-dimethylpyrazol-3-yl)methyl]thietan-3-ol
CID 131124030
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]oxan-4-ol
CID 107911775

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol (CID 81130976) is 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol is Cc1cc(CNCC2(O)CCOCC2)n(C)n1.
What is the InChIKey of 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is JDMSPVFQZYEWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-7-11(15(2)14-10)8-13-9-12(16)3-5-17-6-4-12/h7,13,16H,3-6,8-9H2,1-2H3.
What are the key properties of 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol?
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 239.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).