5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine

C11H21N3O3 — CID 103400910

IUPAC5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
SMILESCOCCOCCCOc1c(N)c(C)nn1C
InChIInChI=1S/C11H21N3O3/c1-9-10(12)11(14(2)13-9)17-6-4-5-16-8-7-15-3/h4-8,12H2,1-3H3
InChIKeyBHTOLICKTQONFP-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.74
Rot. Bonds8

About 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine

5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine (PubChem CID 103400910) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
PubChem CID103400910
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
SMILESCOCCOCCCOc1c(N)c(C)nn1C
InChIInChI=1S/C11H21N3O3/c1-9-10(12)11(14(2)13-9)17-6-4-5-16-8-7-15-3/h4-8,12H2,1-3H3
InChIKeyBHTOLICKTQONFP-UHFFFAOYSA-N
XLogP0.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.74
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

5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazole-4-carboxylic acid
CID 103407005
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429
5-hexoxy-1,3-dimethylpyrazol-4-amine
CID 43554474
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazol-4-amine
CID 61102493
1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
CID 104559959
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine
CID 104560010
1-ethyl-5-(3-methoxypropoxy)-3-methylpyrazol-4-amine
CID 66013084
5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
CID 104559958
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115600667
5-(cyclopropylmethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554459
5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013671
5-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63758810

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine (CID 103400910) is 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine is COCCOCCCOc1c(N)c(C)nn1C.
What is the InChIKey of 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine?
The InChIKey is BHTOLICKTQONFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9-10(12)11(14(2)13-9)17-6-4-5-16-8-7-15-3/h4-8,12H2,1-3H3.
What are the key properties of 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine?
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103400910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).