N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

C14H13N5OS — CID 121019897

IUPACN-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ccc(-c2cnccn2)n1)c1cccs1
InChIInChI=1S/C14H13N5OS/c20-14(13-2-1-9-21-13)17-6-8-19-7-3-11(18-19)12-10-15-4-5-16-12/h1-5,7,9-10H,6,8H2,(H,17,20)
InChIKeyKLUSSSTWLXECSP-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide

N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 121019897) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID121019897
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1ccc(-c2cnccn2)n1)c1cccs1
InChIInChI=1S/C14H13N5OS/c20-14(13-2-1-9-21-13)17-6-8-19-7-3-11(18-19)12-10-15-4-5-16-12/h1-5,7,9-10H,6,8H2,(H,17,20)
InChIKeyKLUSSSTWLXECSP-UHFFFAOYSA-N
XLogP1.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 121019927
2-ethoxy-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]acetamide
CID 119102670
1-(2-chlorophenyl)-3-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]urea
CID 119102710
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
(E)-3-(2-methylphenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102701
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
1-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-thiophen-2-ylurea
CID 90588201
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136734
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide (CID 121019897) is N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCCn1ccc(-c2cnccn2)n1)c1cccs1.
What is the InChIKey of N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KLUSSSTWLXECSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-14(13-2-1-9-21-13)17-6-8-19-7-3-11(18-19)12-10-15-4-5-16-12/h1-5,7,9-10H,6,8H2,(H,17,20).
What are the key properties of N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121019897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).