1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C11H10N4OS — CID 2529482

IUPAC1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(N)=O)c(-c2cccs2)n1
InChIInChI=1S/C11H10N4OS/c12-4-2-5-15-7-8(11(13)16)10(14-15)9-3-1-6-17-9/h1,3,6-7H,2,5H2,(H2,13,16)
InChIKeyWIWOJOGGRKHHAR-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2529482) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2529482
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(N)=O)c(-c2cccs2)n1
InChIInChI=1S/C11H10N4OS/c12-4-2-5-15-7-8(11(13)16)10(14-15)9-3-1-6-17-9/h1,3,6-7H,2,5H2,(H2,13,16)
InChIKeyWIWOJOGGRKHHAR-UHFFFAOYSA-N
XLogP1.62
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
LON-WEI-4d77710c-70
CID 2822904
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile
CID 1990367

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2529482) is 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is N#CCCn1cc(C(N)=O)c(-c2cccs2)n1.
What is the InChIKey of 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is WIWOJOGGRKHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-4-2-5-15-7-8(11(13)16)10(14-15)9-3-1-6-17-9/h1,3,6-7H,2,5H2,(H2,13,16).
What are the key properties of 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2529482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).