4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide

C11H17N5O — CID 66125538

IUPAC4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCCN(CCC#N)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C11H17N5O/c1-4-16(7-5-6-12)11(17)10-9(13)8(2)14-15(10)3/h4-5,7,13H2,1-3H3
InChIKeyCEURFLGLMJUJPS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds4

About 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66125538) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66125538
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCCN(CCC#N)C(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C11H17N5O/c1-4-16(7-5-6-12)11(17)10-9(13)8(2)14-15(10)3/h4-5,7,13H2,1-3H3
InChIKeyCEURFLGLMJUJPS-UHFFFAOYSA-N
XLogP0.69
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide (CID 66125538) is 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide is CCN(CCC#N)C(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is CEURFLGLMJUJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-16(7-5-6-12)11(17)10-9(13)8(2)14-15(10)3/h4-5,7,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).