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

C11H17N5O — CID 66124522

IUPAC4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCC#N)c1N
InChIInChI=1S/C11H17N5O/c1-4-8-9(13)10(16(3)14-8)11(17)15(2)7-5-6-12/h4-5,7,13H2,1-3H3
InChIKeyKAOCFWGNXJNMIT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.55
Rot. Bonds4

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

4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66124522) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66124522
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCC#N)c1N
InChIInChI=1S/C11H17N5O/c1-4-8-9(13)10(16(3)14-8)11(17)15(2)7-5-6-12/h4-5,7,13H2,1-3H3
InChIKeyKAOCFWGNXJNMIT-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66124522) is 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CCC#N)c1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is KAOCFWGNXJNMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-8-9(13)10(16(3)14-8)11(17)15(2)7-5-6-12/h4-5,7,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.55, 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)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).