1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

C15H29N3O2 — CID 103183821

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1c(C)nn(CCOCCCOC)c1C
InChIInChI=1S/C15H29N3O2/c1-6-14(16-4)15-12(2)17-18(13(15)3)8-11-20-10-7-9-19-5/h14,16H,6-11H2,1-5H3
InChIKeyWDRDRYBKULFAMK-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.22
Rot. Bonds10

About 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine

1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 103183821) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID103183821
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1c(C)nn(CCOCCCOC)c1C
InChIInChI=1S/C15H29N3O2/c1-6-14(16-4)15-12(2)17-18(13(15)3)8-11-20-10-7-9-19-5/h14,16H,6-11H2,1-5H3
InChIKeyWDRDRYBKULFAMK-UHFFFAOYSA-N
XLogP2.22
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 103183818
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
1-[1-(4-methoxybutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 104649593
4-(1-chloropropyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104567000
1-[3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729735
4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole
CID 62730924
1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 103181656
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731733
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-N-methylpropan-1-amine
CID 62730290
4-(1-chloroethyl)-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 62731648
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62730461

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine (CID 103183821) is 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is CCC(NC)c1c(C)nn(CCOCCCOC)c1C.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is WDRDRYBKULFAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-14(16-4)15-12(2)17-18(13(15)3)8-11-20-10-7-9-19-5/h14,16H,6-11H2,1-5H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine?
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 103183821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).