4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine

C17H33N3O — CID 103012429

IUPAC4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccnn1C)C(CC)(CC)OCC
InChIInChI=1S/C17H33N3O/c1-6-13-18-16(17(7-2,8-3)21-9-4)11-10-15-12-14-19-20(15)5/h12,14,16,18H,6-11,13H2,1-5H3
InChIKeyPQCPOPIMMSUNTP-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.32
Rot. Bonds11

About 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine

4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine (PubChem CID 103012429) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
PubChem CID103012429
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccnn1C)C(CC)(CC)OCC
InChIInChI=1S/C17H33N3O/c1-6-13-18-16(17(7-2,8-3)21-9-4)11-10-15-12-14-19-20(15)5/h12,14,16,18H,6-11,13H2,1-5H3
InChIKeyPQCPOPIMMSUNTP-UHFFFAOYSA-N
XLogP3.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
N-ethyl-4-methoxy-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-amine
CID 103012395
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
The IUPAC name of 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine (CID 103012429) is 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
The canonical SMILES for 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine is CCCNC(CCc1ccnn1C)C(CC)(CC)OCC.
What is the InChIKey of 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
The InChIKey is PQCPOPIMMSUNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-13-18-16(17(7-2,8-3)21-9-4)11-10-15-12-14-19-20(15)5/h12,14,16,18H,6-11,13H2,1-5H3.
What are the key properties of 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine?
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine has a molecular weight of 295.47 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 103012429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).