3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C13H12N2S — CID 4738375

IUPAC3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C13H12N2S/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12,15H,9H2
InChIKeyXXQMCEOHIKBWSD-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.19
Rot. Bonds2

About 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 4738375) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID4738375
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C13H12N2S/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12,15H,9H2
InChIKeyXXQMCEOHIKBWSD-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 4738375) is 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is c1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is XXQMCEOHIKBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-8,12,15H,9H2.
What are the key properties of 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 228.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 4738375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).