1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine

C16H31N3O — CID 116718230

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)C(CCC)OCC
InChIInChI=1S/C16H31N3O/c1-6-9-16(20-8-3)15(17-10-7-2)12-14-11-13(4)18-19(14)5/h11,15-17H,6-10,12H2,1-5H3
InChIKeyZWJQEDYWLASAGU-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.84
Rot. Bonds10

About 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine (PubChem CID 116718230) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
PubChem CID116718230
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)C(CCC)OCC
InChIInChI=1S/C16H31N3O/c1-6-9-16(20-8-3)15(17-10-7-2)12-14-11-13(4)18-19(14)5/h11,15-17H,6-10,12H2,1-5H3
InChIKeyZWJQEDYWLASAGU-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-N-propylheptan-2-amine
CID 104996074
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222898
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
CID 116722727
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-N-propylhexan-2-amine
CID 105158544
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273802
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine (CID 116718230) is 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine is CCCNC(Cc1cc(C)nn1C)C(CCC)OCC.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine?
The InChIKey is ZWJQEDYWLASAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-9-16(20-8-3)15(17-10-7-2)12-14-11-13(4)18-19(14)5/h11,15-17H,6-10,12H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116718230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).