thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone

C14H10N2OS2 — CID 66962023

IUPACthiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccsc1)n1ccc(C=Cc2cccs2)n1
InChIInChI=1S/C14H10N2OS2/c17-14(11-6-9-18-10-11)16-7-5-12(15-16)3-4-13-2-1-8-19-13/h1-10H
InChIKeyAPQORYGOLOJDIG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.87
Rot. Bonds3

About thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone

thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone (PubChem CID 66962023) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone
PubChem CID66962023
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Namethiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone
SMILESO=C(c1ccsc1)n1ccc(C=Cc2cccs2)n1
InChIInChI=1S/C14H10N2OS2/c17-14(11-6-9-18-10-11)16-7-5-12(15-16)3-4-13-2-1-8-19-13/h1-10H
InChIKeyAPQORYGOLOJDIG-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
CID 42634273
methyl 4-[3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carbonyl]benzoate
CID 44609079
N-phenyl-3-(2-thiophen-2-ylethenyl)pyrazole-1-carboxamide
CID 66955096
N-(1-methylpyrrolidin-3-yl)-3-[(E)-2-thiophen-2-ylethenyl]pyrazole-1-carboxamide
CID 165407935
[3-[(E)-2-(furan-3-yl)ethenyl]pyrazol-1-yl]-(3-hydroxyphenyl)methanone
CID 58958001
[3-(dimethylamino)phenyl]-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazol-1-yl]methanone;2-(4-methoxyphenyl)-1-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone;methyl 3-[3-[(E)-2-(furan-2-yl)ethenyl]pyrazole-1-carbonyl]benzoate;(4-morpholin-4-ylphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;[3-[(E)-2-phenylethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[3-(trifluoromethoxy)phenyl]methanone;[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 158782819
(E)-2-thiophen-2-ylethenol
CID 89297537
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
(E)-1-(4-imidazol-1-ylphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 19541191
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
CID 59090948
CID 59090948

Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone (CID 66962023) is thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone is O=C(c1ccsc1)n1ccc(C=Cc2cccs2)n1.
What is the InChIKey of thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone?
The InChIKey is APQORYGOLOJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS2/c17-14(11-6-9-18-10-11)16-7-5-12(15-16)3-4-13-2-1-8-19-13/h1-10H.
What are the key properties of thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone?
thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone has a molecular weight of 286.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 66962023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).