1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine

C11H21N3O — CID 105047246

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(N)c1c(OC)cnn1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-9(12)11-10(15-3)8-13-14(11)2/h8-9H,4-7,12H2,1-3H3
InChIKeyLJNJIYQOEIKQAL-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.01
Rot. Bonds6

About 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine (PubChem CID 105047246) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
PubChem CID105047246
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(N)c1c(OC)cnn1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-9(12)11-10(15-3)8-13-14(11)2/h8-9H,4-7,12H2,1-3H3
InChIKeyLJNJIYQOEIKQAL-UHFFFAOYSA-N
XLogP2.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105339107
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine (CID 105047246) is 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine is CCCCCC(N)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
The InChIKey is LJNJIYQOEIKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-7-9(12)11-10(15-3)8-13-14(11)2/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine is sourced from PubChem (CID 105047246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).