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

C13H25N3O — CID 105046940

IUPACN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(OC)cnn1C
InChIInChI=1S/C13H25N3O/c1-5-7-8-9-11(14-6-2)13-12(17-4)10-15-16(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyGJRIJPSFOJTWIS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds8

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

N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine (PubChem CID 105046940) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
PubChem CID105046940
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(NCC)c1c(OC)cnn1C
InChIInChI=1S/C13H25N3O/c1-5-7-8-9-11(14-6-2)13-12(17-4)10-15-16(13)3/h10-11,14H,5-9H2,1-4H3
InChIKeyGJRIJPSFOJTWIS-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.66
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-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
2-butan-2-ylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654035
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654144
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine (CID 105046940) is N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine is CCCCCC(NCC)c1c(OC)cnn1C.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
The InChIKey is GJRIJPSFOJTWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-7-8-9-11(14-6-2)13-12(17-4)10-15-16(13)3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine?
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine is sourced from PubChem (CID 105046940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).