N-(1-ethylpyrazol-3-yl)prop-2-enamide

C8H11N3O — CID 118519244

IUPACN-(1-ethylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccn(CC)n1
InChIInChI=1S/C8H11N3O/c1-3-8(12)9-7-5-6-11(4-2)10-7/h3,5-6H,1,4H2,2H3,(H,9,10,12)
InChIKeyDVKKKEZTMCUZCD-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.03
Rot. Bonds3

About N-(1-ethylpyrazol-3-yl)prop-2-enamide

N-(1-ethylpyrazol-3-yl)prop-2-enamide (PubChem CID 118519244) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)prop-2-enamide
PubChem CID118519244
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-(1-ethylpyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccn(CC)n1
InChIInChI=1S/C8H11N3O/c1-3-8(12)9-7-5-6-11(4-2)10-7/h3,5-6H,1,4H2,2H3,(H,9,10,12)
InChIKeyDVKKKEZTMCUZCD-UHFFFAOYSA-N
XLogP1.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-ethylpyrazol-3-yl)prop-2-enamide 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-(1-ethylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)prop-2-enamide (CID 118519244) is N-(1-ethylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)prop-2-enamide is C=CC(=O)Nc1ccn(CC)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)prop-2-enamide?
The InChIKey is DVKKKEZTMCUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-8(12)9-7-5-6-11(4-2)10-7/h3,5-6H,1,4H2,2H3,(H,9,10,12).
What are the key properties of N-(1-ethylpyrazol-3-yl)prop-2-enamide?
N-(1-ethylpyrazol-3-yl)prop-2-enamide has a molecular weight of 165.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 118519244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).