1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine

C12H23N3O — CID 105047983

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(N)c1c(OC)cnn1CC
InChIInChI=1S/C12H23N3O/c1-4-6-7-8-10(13)12-11(16-3)9-14-15(12)5-2/h9-10H,4-8,13H2,1-3H3
InChIKeyVYCSJIGOCRZVLO-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.49
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine

1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine (PubChem CID 105047983) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
PubChem CID105047983
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
SMILESCCCCCC(N)c1c(OC)cnn1CC
InChIInChI=1S/C12H23N3O/c1-4-6-7-8-10(13)12-11(16-3)9-14-15(12)5-2/h9-10H,4-8,13H2,1-3H3
InChIKeyVYCSJIGOCRZVLO-UHFFFAOYSA-N
XLogP2.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.49
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)hexan-1-amine
CID 105047246
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-(1-ethyl-4-methoxypyrazol-5-yl)pentylhydrazine
CID 105245644
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667945

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine (CID 105047983) is 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine is CCCCCC(N)c1c(OC)cnn1CC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine?
The InChIKey is VYCSJIGOCRZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-7-8-10(13)12-11(16-3)9-14-15(12)5-2/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine?
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine is sourced from PubChem (CID 105047983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).