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

Analyze 2-benzyl-5-thiophen-2-yl-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
2-benzyl-6-methyl-4,5-dihydro-3H-pyridazine
CID 86227815
1,3-dibenzyl-2-thiophen-2-yl-4,5-dihydroimidazol-1-ium
CID 11317560
N-methyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 46946468
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
6-[(4-benzylpiperazin-1-yl)methyl]-5-chloro-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155549397
8-benzyl-3-thiophen-2-yl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
CID 162659627
1,3-dibenzyl-2-thiophen-2-ylimidazol-1-ium
CID 102216996
1,3-dibenzyl-2-thiophen-2-yl-4,5-dihydroimidazol-1-ium hexafluorophosphate
CID 11317559
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 53272644

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).