5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine

C11H22N4O2 — CID 114256046

IUPAC5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine
SMILESCOCCCC(N)CNc1cc(OC)n(C)n1
InChIInChI=1S/C11H22N4O2/c1-15-11(17-3)7-10(14-15)13-8-9(12)5-4-6-16-2/h7,9H,4-6,8,12H2,1-3H3,(H,13,14)
InChIKeyBLKVLPIZGHOJNV-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds8

About 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine

5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine (PubChem CID 114256046) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine
PubChem CID114256046
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine
SMILESCOCCCC(N)CNc1cc(OC)n(C)n1
InChIInChI=1S/C11H22N4O2/c1-15-11(17-3)7-10(14-15)13-8-9(12)5-4-6-16-2/h7,9H,4-6,8,12H2,1-3H3,(H,13,14)
InChIKeyBLKVLPIZGHOJNV-UHFFFAOYSA-N
XLogP0.59
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine (CID 114256046) is 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine is COCCCC(N)CNc1cc(OC)n(C)n1.
What is the InChIKey of 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine?
The InChIKey is BLKVLPIZGHOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-15-11(17-3)7-10(14-15)13-8-9(12)5-4-6-16-2/h7,9H,4-6,8,12H2,1-3H3,(H,13,14).
What are the key properties of 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine?
5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-(5-methoxy-1-methylpyrazol-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 114256046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).