1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine

C13H25N3O — CID 62730461

IUPAC1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1c(C)nn(CCOCC)c1C
InChIInChI=1S/C13H25N3O/c1-6-14-10(3)13-11(4)15-16(12(13)5)8-9-17-7-2/h10,14H,6-9H2,1-5H3
InChIKeyUFHRABGWGXBXIA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds7

About 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine

1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine (PubChem CID 62730461) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
PubChem CID62730461
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1c(C)nn(CCOCC)c1C
InChIInChI=1S/C13H25N3O/c1-6-14-10(3)13-11(4)15-16(12(13)5)8-9-17-7-2/h10,14H,6-9H2,1-5H3
InChIKeyUFHRABGWGXBXIA-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
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-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731733
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine
CID 106730522
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 103183818
1-[3,5-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 103014921
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006
N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62732271
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
1-[1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731555

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine (CID 62730461) is 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine is CCNC(C)c1c(C)nn(CCOCC)c1C.
What is the InChIKey of 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
The InChIKey is UFHRABGWGXBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-14-10(3)13-11(4)15-16(12(13)5)8-9-17-7-2/h10,14H,6-9H2,1-5H3.
What are the key properties of 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 62730461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).