2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate

C9H15N3O3 — CID 65363154

IUPAC2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(N)c(C(=O)OCCOC)n1
InChIInChI=1S/C9H15N3O3/c1-3-12-6-7(10)8(11-12)9(13)15-5-4-14-2/h6H,3-5,10H2,1-2H3
InChIKeyDEJVXJAYCFJCMK-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.29
Rot. Bonds5

About 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate

2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate (PubChem CID 65363154) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
PubChem CID65363154
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(N)c(C(=O)OCCOC)n1
InChIInChI=1S/C9H15N3O3/c1-3-12-6-7(10)8(11-12)9(13)15-5-4-14-2/h6H,3-5,10H2,1-2H3
InChIKeyDEJVXJAYCFJCMK-UHFFFAOYSA-N
XLogP0.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.29
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-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 103404099
2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 65362690
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 104564300
methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 65358129
4-amino-N-cyclopropyl-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 65357909
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
CID 65358116
(3-methoxycyclohexyl) 4-amino-1-ethylpyrazole-3-carboxylate
CID 65362749
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate (CID 65363154) is 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate is CCn1cc(N)c(C(=O)OCCOC)n1.
What is the InChIKey of 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
The InChIKey is DEJVXJAYCFJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-12-6-7(10)8(11-12)9(13)15-5-4-14-2/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate?
2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 65363154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).