5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol

C13H26N4O2 — CID 107317029

IUPAC5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol
SMILESCOc1c(C(CN)NCCCCCO)c(C)nn1C
InChIInChI=1S/C13H26N4O2/c1-10-12(13(19-3)17(2)16-10)11(9-14)15-7-5-4-6-8-18/h11,15,18H,4-9,14H2,1-3H3
InChIKeyHLVDUBCCJGGLFO-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.49
Rot. Bonds9

About 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol (PubChem CID 107317029) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol
PubChem CID107317029
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol
SMILESCOc1c(C(CN)NCCCCCO)c(C)nn1C
InChIInChI=1S/C13H26N4O2/c1-10-12(13(19-3)17(2)16-10)11(9-14)15-7-5-4-6-8-18/h11,15,18H,4-9,14H2,1-3H3
InChIKeyHLVDUBCCJGGLFO-UHFFFAOYSA-N
XLogP0.49
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-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 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol (CID 107317029) is 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol is COc1c(C(CN)NCCCCCO)c(C)nn1C.
What is the InChIKey of 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol?
The InChIKey is HLVDUBCCJGGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10-12(13(19-3)17(2)16-10)11(9-14)15-7-5-4-6-8-18/h11,15,18H,4-9,14H2,1-3H3.
What are the key properties of 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107317029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).