N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine

C13H25N3O — CID 105148325

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccnn1CC
InChIInChI=1S/C13H25N3O/c1-4-10-17-11-8-12(14-5-2)13-7-9-15-16(13)6-3/h7,9,12,14H,4-6,8,10-11H2,1-3H3
InChIKeyLZMXQXNZBINZHN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds9

About N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine

N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine (PubChem CID 105148325) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
PubChem CID105148325
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1ccnn1CC
InChIInChI=1S/C13H25N3O/c1-4-10-17-11-8-12(14-5-2)13-7-9-15-16(13)6-3/h7,9,12,14H,4-6,8,10-11H2,1-3H3
InChIKeyLZMXQXNZBINZHN-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.37
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

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
CID 63976814
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148342
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148427
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
CID 105148508
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63975733
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 103134564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine (CID 105148325) is N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine is CCCOCCC(NCC)c1ccnn1CC.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
The InChIKey is LZMXQXNZBINZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-10-17-11-8-12(14-5-2)13-7-9-15-16(13)6-3/h7,9,12,14H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine is sourced from PubChem (CID 105148325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).