N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

C12H12N4O2S — CID 110483284

IUPACN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
SMILESN#Cc1cnn(CCO)c1NC(=O)Cc1cccs1
InChIInChI=1S/C12H12N4O2S/c13-7-9-8-14-16(3-4-17)12(9)15-11(18)6-10-2-1-5-19-10/h1-2,5,8,17H,3-4,6H2,(H,15,18)
InChIKeyQTJHYYVSIXXTCI-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.99
Rot. Bonds5

About N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide

N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 110483284) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID110483284
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
SMILESN#Cc1cnn(CCO)c1NC(=O)Cc1cccs1
InChIInChI=1S/C12H12N4O2S/c13-7-9-8-14-16(3-4-17)12(9)15-11(18)6-10-2-1-5-19-10/h1-2,5,8,17H,3-4,6H2,(H,15,18)
InChIKeyQTJHYYVSIXXTCI-UHFFFAOYSA-N
XLogP0.99
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 110482169
4-[[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-4-oxobutanoic acid
CID 110481763
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 110479041
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814
N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 79503473
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
CID 81259481
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 90615113
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide (CID 110483284) is N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is N#Cc1cnn(CCO)c1NC(=O)Cc1cccs1.
What is the InChIKey of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is QTJHYYVSIXXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-7-9-8-14-16(3-4-17)12(9)15-11(18)6-10-2-1-5-19-10/h1-2,5,8,17H,3-4,6H2,(H,15,18).
What are the key properties of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide?
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 276.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110483284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).