4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol

C17H24N4O2 — CID 138993196

IUPAC4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
SMILESCc1nn(-c2ccccn2)c(C)c1CNCC1(O)CCOCC1
InChIInChI=1S/C17H24N4O2/c1-13-15(11-18-12-17(22)6-9-23-10-7-17)14(2)21(20-13)16-5-3-4-8-19-16/h3-5,8,18,22H,6-7,9-12H2,1-2H3
InChIKeyQZEGWHXDVUESNA-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.52
Rot. Bonds5

About 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol

4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol (PubChem CID 138993196) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
PubChem CID138993196
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
SMILESCc1nn(-c2ccccn2)c(C)c1CNCC1(O)CCOCC1
InChIInChI=1S/C17H24N4O2/c1-13-15(11-18-12-17(22)6-9-23-10-7-17)14(2)21(20-13)16-5-3-4-8-19-16/h3-5,8,18,22H,6-7,9-12H2,1-2H3
InChIKeyQZEGWHXDVUESNA-UHFFFAOYSA-N
XLogP1.52
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol (CID 138993196) is 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol is Cc1nn(-c2ccccn2)c(C)c1CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is QZEGWHXDVUESNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-15(11-18-12-17(22)6-9-23-10-7-17)14(2)21(20-13)16-5-3-4-8-19-16/h3-5,8,18,22H,6-7,9-12H2,1-2H3.
What are the key properties of 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 316.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 138993196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).