1-[(Z)-2-thiophen-3-ylethenyl]pyrazole

C9H8N2S — CID 150376951

IUPAC1-[(Z)-2-thiophen-3-ylethenyl]pyrazole
SMILESC(=C\n1cccn1)\c1ccsc1
InChIInChI=1S/C9H8N2S/c1-4-10-11(5-1)6-2-9-3-7-12-8-9/h1-8H/b6-2-
InChIKeyGYXBSOLWUIOHBO-KXFIGUGUSA-N
MW176.24 g/mol
LogP2.57
Rot. Bonds2

About 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole

1-[(Z)-2-thiophen-3-ylethenyl]pyrazole (PubChem CID 150376951) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole.

Molecular Properties

Compound Name1-[(Z)-2-thiophen-3-ylethenyl]pyrazole
PubChem CID150376951
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name1-[(Z)-2-thiophen-3-ylethenyl]pyrazole
SMILESC(=C\n1cccn1)\c1ccsc1
InChIInChI=1S/C9H8N2S/c1-4-10-11(5-1)6-2-9-3-7-12-8-9/h1-8H/b6-2-
InChIKeyGYXBSOLWUIOHBO-KXFIGUGUSA-N
XLogP2.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole?
The IUPAC name of 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole (CID 150376951) is 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole.
What is the SMILES notation for 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole?
The canonical SMILES for 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole is C(=C\n1cccn1)\c1ccsc1.
What is the InChIKey of 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole?
The InChIKey is GYXBSOLWUIOHBO-KXFIGUGUSA-N. The full InChI is InChI=1S/C9H8N2S/c1-4-10-11(5-1)6-2-9-3-7-12-8-9/h1-8H/b6-2-.
What are the key properties of 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole?
1-[(Z)-2-thiophen-3-ylethenyl]pyrazole has a molecular weight of 176.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-thiophen-3-ylethenyl]pyrazole is sourced from PubChem (CID 150376951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).