N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide

C10H8N4OS — CID 79503473

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
SMILESN#Cc1cn[nH]c1NC(=O)Cc1cccs1
InChIInChI=1S/C10H8N4OS/c11-5-7-6-12-14-10(7)13-9(15)4-8-2-1-3-16-8/h1-3,6H,4H2,(H2,12,13,14,15)
InChIKeyPQDLIQUILYBNHI-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.52
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide

N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 79503473) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID79503473
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
SMILESN#Cc1cn[nH]c1NC(=O)Cc1cccs1
InChIInChI=1S/C10H8N4OS/c11-5-7-6-12-14-10(7)13-9(15)4-8-2-1-3-16-8/h1-3,6H,4H2,(H2,12,13,14,15)
InChIKeyPQDLIQUILYBNHI-UHFFFAOYSA-N
XLogP1.52
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
CID 110470623
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 110483284
N-(1H-indazol-7-yl)-2-thiophen-2-ylacetamide
CID 110472568
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophen-2-ylacetamide
CID 28692888
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 112691386
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide (CID 79503473) is N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide is N#Cc1cn[nH]c1NC(=O)Cc1cccs1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is PQDLIQUILYBNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-5-7-6-12-14-10(7)13-9(15)4-8-2-1-3-16-8/h1-3,6H,4H2,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 232.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 79503473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).