2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate

C12H21N3O5 — CID 104564300

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
SMILESCOCCOCCOCCOC(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N3O5/c1-15-9-10(13)11(14-15)12(16)20-8-7-19-6-5-18-4-3-17-2/h9H,3-8,13H2,1-2H3
InChIKeyYCHFDYWXJSBDGL-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.16
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate (PubChem CID 104564300) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
PubChem CID104564300
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
SMILESCOCCOCCOCCOC(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N3O5/c1-15-9-10(13)11(14-15)12(16)20-8-7-19-6-5-18-4-3-17-2/h9H,3-8,13H2,1-2H3
InChIKeyYCHFDYWXJSBDGL-UHFFFAOYSA-N
XLogP-0.16
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 65363154
3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 103404099
2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 65362690
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355940
(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355449
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354607
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate (CID 104564300) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate is COCCOCCOCCOC(=O)c1nn(C)cc1N.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate?
The InChIKey is YCHFDYWXJSBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-15-9-10(13)11(14-15)12(16)20-8-7-19-6-5-18-4-3-17-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of -0.16, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 104564300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).