4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate

C8H11N3O4 — CID 2967086

IUPAC4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate
SMILESCCOC(=O)c1cnn(C(=O)OC)c1N
InChIInChI=1S/C8H11N3O4/c1-3-15-7(12)5-4-10-11(6(5)9)8(13)14-2/h4H,3,9H2,1-2H3
InChIKeyBJQNMVZXPBNFEW-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.26
Rot. Bonds2

About 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate

4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate (PubChem CID 2967086) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate
PubChem CID2967086
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate
SMILESCCOC(=O)c1cnn(C(=O)OC)c1N
InChIInChI=1S/C8H11N3O4/c1-3-15-7(12)5-4-10-11(6(5)9)8(13)14-2/h4H,3,9H2,1-2H3
InChIKeyBJQNMVZXPBNFEW-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

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Related Compounds

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 271299
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
Ethyl 1-methyl-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 44574653
ethyl 5-[(2,2-dimethylpropanoyl)amino]-1-{2-[(2,2-dimethylpropanoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3244478
ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 252927
Ethyl 5-(formylamino)-1H-pyrazole-4-carboxylate
CID 13926581
methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 15140326
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate
CID 13809946
methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 20388928
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate
CID 22831608
Diethyl 5-amino-1H-pyrazole-1,4-dicarboxylate
CID 573130

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate (CID 2967086) is 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate is CCOC(=O)c1cnn(C(=O)OC)c1N.
What is the InChIKey of 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate?
The InChIKey is BJQNMVZXPBNFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-3-15-7(12)5-4-10-11(6(5)9)8(13)14-2/h4H,3,9H2,1-2H3.
What are the key properties of 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate?
4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-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 4-O-ethyl 1-O-methyl 5-aminopyrazole-1,4-dicarboxylate is sourced from PubChem (CID 2967086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).