4-thiophen-2-yl-1-tritylpyrazole

C26H20N2S — CID 101417607

IUPAC4-thiophen-2-yl-1-tritylpyrazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3cccs3)cn2)cc1
InChIInChI=1S/C26H20N2S/c1-4-11-22(12-5-1)26(23-13-6-2-7-14-23,24-15-8-3-9-16-24)28-20-21(19-27-28)25-17-10-18-29-25/h1-20H
InChIKeyKDXKTASKHUTJHI-UHFFFAOYSA-N
MW392.53 g/mol
LogP6.45
Rot. Bonds5

About 4-thiophen-2-yl-1-tritylpyrazole

4-thiophen-2-yl-1-tritylpyrazole (PubChem CID 101417607) has the molecular formula C26H20N2S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-thiophen-2-yl-1-tritylpyrazole.

Molecular Properties

Compound Name4-thiophen-2-yl-1-tritylpyrazole
PubChem CID101417607
Molecular FormulaC26H20N2S
Molecular Weight392.53 g/mol
Exact Mass392.13
IUPAC Name4-thiophen-2-yl-1-tritylpyrazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3cccs3)cn2)cc1
InChIInChI=1S/C26H20N2S/c1-4-11-22(12-5-1)26(23-13-6-2-7-14-23,24-15-8-3-9-16-24)28-20-21(19-27-28)25-17-10-18-29-25/h1-20H
InChIKeyKDXKTASKHUTJHI-UHFFFAOYSA-N
XLogP6.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-tritylpyrazole
CID 15324479
(1-tritylpyrazol-4-yl) acetate
CID 174736849
2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
2-(3,4-diphenylphenyl)thiophene
CID 150825396
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
6-thiophen-2-ylimidazo[1,5-a]pyridine
CID 117001237
1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 10416758
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
1-methyl-3-[2-(1-tritylpyrazol-4-yl)ethynyl]pyridin-1-ium
CID 56965322
diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride
CID 172791723
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
6-phenylcyclopenta[b]thiopyran
CID 175596578

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1-tritylpyrazole?
The IUPAC name of 4-thiophen-2-yl-1-tritylpyrazole (CID 101417607) is 4-thiophen-2-yl-1-tritylpyrazole.
What is the SMILES notation for 4-thiophen-2-yl-1-tritylpyrazole?
The canonical SMILES for 4-thiophen-2-yl-1-tritylpyrazole is c1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3cccs3)cn2)cc1.
What is the InChIKey of 4-thiophen-2-yl-1-tritylpyrazole?
The InChIKey is KDXKTASKHUTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2S/c1-4-11-22(12-5-1)26(23-13-6-2-7-14-23,24-15-8-3-9-16-24)28-20-21(19-27-28)25-17-10-18-29-25/h1-20H.
What are the key properties of 4-thiophen-2-yl-1-tritylpyrazole?
4-thiophen-2-yl-1-tritylpyrazole has a molecular weight of 392.53 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1-tritylpyrazole is sourced from PubChem (CID 101417607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).