N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide

C13H19N5O — CID 50956675

IUPACN-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide
SMILESCCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1
InChIInChI=1S/C13H19N5O/c1-4-18-8-13(10(2)16-18)17-7-12(15-9-17)5-6-14-11(3)19/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyWYVCUNKKJSGYAJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.08
Rot. Bonds5

About N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide

N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide (PubChem CID 50956675) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide
PubChem CID50956675
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide
SMILESCCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1
InChIInChI=1S/C13H19N5O/c1-4-18-8-13(10(2)16-18)17-7-12(15-9-17)5-6-14-11(3)19/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyWYVCUNKKJSGYAJ-UHFFFAOYSA-N
XLogP1.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide 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 N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide (CID 50956675) is N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide is CCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1.
What is the InChIKey of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
The InChIKey is WYVCUNKKJSGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-18-8-13(10(2)16-18)17-7-12(15-9-17)5-6-14-11(3)19/h7-9H,4-6H2,1-3H3,(H,14,19).
What are the key properties of N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide?
N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-ethyl-3-methylpyrazol-4-yl)imidazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 50956675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).