3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate

C8H11N3O4 — CID 11287330

IUPAC3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(N)n(C(=O)OC)n1
InChIInChI=1S/C8H11N3O4/c1-3-15-7(12)5-4-6(9)11(10-5)8(13)14-2/h4H,3,9H2,1-2H3
InChIKeyOADQXZZMDYBNNH-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.26
Rot. Bonds2

About 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate

3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate (PubChem CID 11287330) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
PubChem CID11287330
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(N)n(C(=O)OC)n1
InChIInChI=1S/C8H11N3O4/c1-3-15-7(12)5-4-6(9)11(10-5)8(13)14-2/h4H,3,9H2,1-2H3
InChIKeyOADQXZZMDYBNNH-UHFFFAOYSA-N
XLogP0.26
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-aminopyrazole-1,3-dicarboxylate
CID 163321502
methyl 5-amino-3-methylpyrazole-1-carboxylate
CID 110459451
3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate
CID 25057248
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
3-amino-N-propyl-1H-pyrazole-5-carboxamide;1-O-tert-butyl 3-O-ethyl 5-aminopyrazole-1,3-dicarboxylate;hydrochloride
CID 160565700
ethyl 5-amino-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 75357933
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
1-O-tert-butyl 3-O-ethyl 5-(2-methoxycarbonylanilino)pyrazole-1,3-dicarboxylate
CID 101025644
ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate
CID 11832248
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate (CID 11287330) is 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate is CCOC(=O)c1cc(N)n(C(=O)OC)n1.
What is the InChIKey of 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate?
The InChIKey is OADQXZZMDYBNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-3-15-7(12)5-4-6(9)11(10-5)8(13)14-2/h4H,3,9H2,1-2H3.
What are the key properties of 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate?
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate has a molecular weight of 213.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate is sourced from PubChem (CID 11287330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).