ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate

C11H16N4O2 — CID 63758021

IUPACethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1c(C#N)c(C)nn1C
InChIInChI=1S/C11H16N4O2/c1-5-17-11(16)8(3)13-10-9(6-12)7(2)14-15(10)4/h8,13H,5H2,1-4H3
InChIKeyYWNOWBVEEIWWGJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.96
Rot. Bonds4

About ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate

ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate (PubChem CID 63758021) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
PubChem CID63758021
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1c(C#N)c(C)nn1C
InChIInChI=1S/C11H16N4O2/c1-5-17-11(16)8(3)13-10-9(6-12)7(2)14-15(10)4/h8,13H,5H2,1-4H3
InChIKeyYWNOWBVEEIWWGJ-UHFFFAOYSA-N
XLogP0.96
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate (CID 63758021) is ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate is CCOC(=O)C(C)Nc1c(C#N)c(C)nn1C.
What is the InChIKey of ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate?
The InChIKey is YWNOWBVEEIWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-5-17-11(16)8(3)13-10-9(6-12)7(2)14-15(10)4/h8,13H,5H2,1-4H3.
What are the key properties of ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate?
ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate has a molecular weight of 236.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]propanoate is sourced from PubChem (CID 63758021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).