1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole

C15H12N2S — CID 155934631

IUPAC1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole
SMILESC(=C/c1ccccc1-n1cccn1)\c1cccs1
InChIInChI=1S/C15H12N2S/c1-2-7-15(17-11-4-10-16-17)13(5-1)8-9-14-6-3-12-18-14/h1-12H/b9-8+
InChIKeyHRNWUSKWYFVXLX-CMDGGOBGSA-N
MW252.34 g/mol
LogP4.10
Rot. Bonds3

About 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole

1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole (PubChem CID 155934631) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole
PubChem CID155934631
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole
SMILESC(=C/c1ccccc1-n1cccn1)\c1cccs1
InChIInChI=1S/C15H12N2S/c1-2-7-15(17-11-4-10-16-17)13(5-1)8-9-14-6-3-12-18-14/h1-12H/b9-8+
InChIKeyHRNWUSKWYFVXLX-CMDGGOBGSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
1-[2-[(E)-2-phenylprop-1-enyl]phenyl]pyrazole
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CID 10932177
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[(E)-2-(2-nitrophenyl)ethenyl]thiophene
CID 15723624
1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
CID 68934849
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255
4,4-dimethyl-2-(2-thiophen-2-ylethenyl)-5H-1,3-oxazole
CID 3041207
N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 61166529
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
CID 11426392
CID 11426392
(Z)-cyclohexyl-hydroxy-[(2-pyrazol-1-ylphenyl)methylidene]azanium
CID 59013565

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole?
The IUPAC name of 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole (CID 155934631) is 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole.
What is the SMILES notation for 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole?
The canonical SMILES for 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole is C(=C/c1ccccc1-n1cccn1)\c1cccs1.
What is the InChIKey of 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole?
The InChIKey is HRNWUSKWYFVXLX-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-7-15(17-11-4-10-16-17)13(5-1)8-9-14-6-3-12-18-14/h1-12H/b9-8+.
What are the key properties of 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole?
1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole has a molecular weight of 252.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole is sourced from PubChem (CID 155934631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).