5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine

C12H23N3O3 — CID 104559958

IUPAC5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(OCCOCCOC)c1N
InChIInChI=1S/C12H23N3O3/c1-4-5-10-11(13)12(15(2)14-10)18-9-8-17-7-6-16-3/h4-9,13H2,1-3H3
InChIKeyFTHCUUAULOXOAS-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.00
Rot. Bonds9

About 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine

5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine (PubChem CID 104559958) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
PubChem CID104559958
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(OCCOCCOC)c1N
InChIInChI=1S/C12H23N3O3/c1-4-5-10-11(13)12(15(2)14-10)18-9-8-17-7-6-16-3/h4-9,13H2,1-3H3
InChIKeyFTHCUUAULOXOAS-UHFFFAOYSA-N
XLogP1.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine
CID 104560010
5-ethoxy-1-methyl-3-propylpyrazol-4-amine
CID 66019111
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
CID 103400910
5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
CID 66018723
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429
1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
CID 104559959
5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019810
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019266
4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide
CID 58802992
5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine
CID 142435449
2-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxybenzamide
CID 66017755

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine (CID 104559958) is 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(OCCOCCOC)c1N.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is FTHCUUAULOXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-5-10-11(13)12(15(2)14-10)18-9-8-17-7-6-16-3/h4-9,13H2,1-3H3.
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine?
5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 257.33 g/mol, XLogP of 1.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 104559958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).