N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide

C17H17N3OS — CID 119102947

IUPACN-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H17N3OS/c21-17(11-16-7-4-10-22-16)18-8-9-20-13-15(12-19-20)14-5-2-1-3-6-14/h1-7,10,12-13H,8-9,11H2,(H,18,21)
InChIKeyDMQDJWOWVKJVJI-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 119102947) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID119102947
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H17N3OS/c21-17(11-16-7-4-10-22-16)18-8-9-20-13-15(12-19-20)14-5-2-1-3-6-14/h1-7,10,12-13H,8-9,11H2,(H,18,21)
InChIKeyDMQDJWOWVKJVJI-UHFFFAOYSA-N
XLogP2.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244847
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide
CID 122244609
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
CID 121020141
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 90615113
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 119102947) is N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is DMQDJWOWVKJVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(11-16-7-4-10-22-16)18-8-9-20-13-15(12-19-20)14-5-2-1-3-6-14/h1-7,10,12-13H,8-9,11H2,(H,18,21).
What are the key properties of N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 311.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 119102947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).