2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C13H19N5O2 — CID 114531020

IUPAC2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCCc2nccn2C)c(C)c1N
InChIInChI=1S/C13H19N5O2/c1-9-13(14)10(2)18(16-9)8-12(19)20-7-4-11-15-5-6-17(11)3/h5-6H,4,7-8,14H2,1-3H3
InChIKeyCYVKOYLLYCNQNG-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.60
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 114531020) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID114531020
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCCc2nccn2C)c(C)c1N
InChIInChI=1S/C13H19N5O2/c1-9-13(14)10(2)18(16-9)8-12(19)20-7-4-11-15-5-6-17(11)3/h5-6H,4,7-8,14H2,1-3H3
InChIKeyCYVKOYLLYCNQNG-UHFFFAOYSA-N
XLogP0.60
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 114531020) is 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OCCc2nccn2C)c(C)c1N.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is CYVKOYLLYCNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-13(14)10(2)18(16-9)8-12(19)20-7-4-11-15-5-6-17(11)3/h5-6H,4,7-8,14H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 277.33 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 114531020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).