N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide

C14H17N3O — CID 51078641

IUPACN-(1-ethylpyrazol-4-yl)-3-phenylpropanamide
SMILESCCn1cc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-11-13(10-15-17)16-14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,16,18)
InChIKeyLBAOPXKJJZUUDX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide

N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide (PubChem CID 51078641) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-phenylpropanamide
PubChem CID51078641
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-phenylpropanamide
SMILESCCn1cc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-11-13(10-15-17)16-14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,16,18)
InChIKeyLBAOPXKJJZUUDX-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide 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-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide (CID 51078641) is N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide is CCn1cc(NC(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide?
The InChIKey is LBAOPXKJJZUUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-11-13(10-15-17)16-14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide?
N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 51078641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).