3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C13H11ClN2S — CID 4739511

IUPAC3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C13H11ClN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,12,16H,8H2
InChIKeyPGJOSMLVSRNASM-UHFFFAOYSA-N
MW262.77 g/mol
LogP3.84
Rot. Bonds2

About 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 4739511) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID4739511
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C13H11ClN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,12,16H,8H2
InChIKeyPGJOSMLVSRNASM-UHFFFAOYSA-N
XLogP3.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 4739511) is 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is Clc1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is PGJOSMLVSRNASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,12,16H,8H2.
What are the key properties of 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 262.77 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 4739511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).