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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Related Compounds

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 3338044
4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
(10S)-5-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 10059827
1,3-Dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626437
(10S)-5,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 44318410
1,3,5-trimethyl-1H,6H,7H-pyrazolo(4,3-d)pyrimidin-7-one
CID 135709804
4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide--hydrogen chloride (1/1)
CID 10220063
(10S)-4-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 10082668
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N,N-dimethylacetamide
CID 39890766
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 39890794
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266

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).