ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate

C13H19N5O2 — CID 63302991

IUPACethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(Cc2ccnn2C)c1N
InChIInChI=1S/C13H19N5O2/c1-4-10-16-11(13(19)20-5-2)12(14)18(10)8-9-6-7-15-17(9)3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyKXNCUFYHJXMJQY-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.99
Rot. Bonds5

About ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate (PubChem CID 63302991) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
PubChem CID63302991
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(Cc2ccnn2C)c1N
InChIInChI=1S/C13H19N5O2/c1-4-10-16-11(13(19)20-5-2)12(14)18(10)8-9-6-7-15-17(9)3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyKXNCUFYHJXMJQY-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate (CID 63302991) is ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(Cc2ccnn2C)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
The InChIKey is KXNCUFYHJXMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-10-16-11(13(19)20-5-2)12(14)18(10)8-9-6-7-15-17(9)3/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate has a molecular weight of 277.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 63302991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).