5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine

C16H31N3O — CID 105162468

IUPAC5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCOCC)Cc1cc(C)nn1CC
InChIInChI=1S/C16H31N3O/c1-5-10-17-15(9-8-11-20-7-3)13-16-12-14(4)18-19(16)6-2/h12,15,17H,5-11,13H2,1-4H3
InChIKeyRFNOWOOQOVNQDB-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.94
Rot. Bonds11

About 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine

5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine (PubChem CID 105162468) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
PubChem CID105162468
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCOCC)Cc1cc(C)nn1CC
InChIInChI=1S/C16H31N3O/c1-5-10-17-15(9-8-11-20-7-3)13-16-12-14(4)18-19(16)6-2/h12,15,17H,5-11,13H2,1-4H3
InChIKeyRFNOWOOQOVNQDB-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.94
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-(2-ethyl-5-methylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105162393
1-(2-ethyl-5-methylpyrazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105162436
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
3-ethoxy-N-[(5-methyl-2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 122166161
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830290

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine (CID 105162468) is 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine is CCCNC(CCCOCC)Cc1cc(C)nn1CC.
What is the InChIKey of 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is RFNOWOOQOVNQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-10-17-15(9-8-11-20-7-3)13-16-12-14(4)18-19(16)6-2/h12,15,17H,5-11,13H2,1-4H3.
What are the key properties of 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine?
5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.94, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 105162468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).