2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole

C14H14N2S — CID 2824517

IUPAC2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESc1ccc(CN2CCC(c3cccs3)=N2)cc1
InChIInChI=1S/C14H14N2S/c1-2-5-12(6-3-1)11-16-9-8-13(15-16)14-7-4-10-17-14/h1-7,10H,8-9,11H2
InChIKeyQPFGDKBRFDTDQD-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.36
Rot. Bonds3

About 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole

2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2824517) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2824517
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESc1ccc(CN2CCC(c3cccs3)=N2)cc1
InChIInChI=1S/C14H14N2S/c1-2-5-12(6-3-1)11-16-9-8-13(15-16)14-7-4-10-17-14/h1-7,10H,8-9,11H2
InChIKeyQPFGDKBRFDTDQD-UHFFFAOYSA-N
XLogP3.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2824517) is 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole is c1ccc(CN2CCC(c3cccs3)=N2)cc1.
What is the InChIKey of 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is QPFGDKBRFDTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-5-12(6-3-1)11-16-9-8-13(15-16)14-7-4-10-17-14/h1-7,10H,8-9,11H2.
What are the key properties of 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole?
2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 242.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2824517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).