ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate

C14H23N3O3 — CID 107344940

IUPACethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C2CC(C)(C)OC2(C)C)cc1N
InChIInChI=1S/C14H23N3O3/c1-6-19-12(18)11-9(15)8-17(16-11)10-7-13(2,3)20-14(10,4)5/h8,10H,6-7,15H2,1-5H3
InChIKeyZGPMRMCNOJMDCA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.16
Rot. Bonds3

About ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate

ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate (PubChem CID 107344940) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate
PubChem CID107344940
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(C2CC(C)(C)OC2(C)C)cc1N
InChIInChI=1S/C14H23N3O3/c1-6-19-12(18)11-9(15)8-17(16-11)10-7-13(2,3)20-14(10,4)5/h8,10H,6-7,15H2,1-5H3
InChIKeyZGPMRMCNOJMDCA-UHFFFAOYSA-N
XLogP2.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate (CID 107344940) is ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate is CCOC(=O)c1nn(C2CC(C)(C)OC2(C)C)cc1N.
What is the InChIKey of ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate?
The InChIKey is ZGPMRMCNOJMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-19-12(18)11-9(15)8-17(16-11)10-7-13(2,3)20-14(10,4)5/h8,10H,6-7,15H2,1-5H3.
What are the key properties of ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).