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

C14H10N2OS2 — CID 42634273

IUPACthiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESO=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C14H10N2OS2/c17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h1-10H/b6-5+
InChIKeySPKJOEMAURMLFS-AATRIKPKSA-N
MW286.38 g/mol
LogP3.87
Rot. Bonds3

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

thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (PubChem CID 42634273) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
PubChem CID42634273
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Namethiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
SMILESO=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1
InChIInChI=1S/C14H10N2OS2/c17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h1-10H/b6-5+
InChIKeySPKJOEMAURMLFS-AATRIKPKSA-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-3-yl-[3-(2-thiophen-2-ylethenyl)pyrazol-1-yl]methanone
CID 66962023
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
benzotriazol-2-yl(thiophen-2-yl)methanone
CID 141296565
CID 59090948
CID 59090948
(E)-2-thiophen-2-ylethenol
CID 89297537
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
2-[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 101113928

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone (CID 42634273) is thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is O=C(c1cccs1)n1ccc(/C=C/c2cccs2)n1.
What is the InChIKey of thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
The InChIKey is SPKJOEMAURMLFS-AATRIKPKSA-N. The full InChI is InChI=1S/C14H10N2OS2/c17-14(13-4-2-10-19-13)16-8-7-11(15-16)5-6-12-3-1-9-18-12/h1-10H/b6-5+.
What are the key properties of thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone?
thiophen-2-yl-[3-[(E)-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-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 42634273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).