2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole

C17H13ClN2OS — CID 2842931

IUPAC2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1
InChIInChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2
InChIKeyXYCOPXQUSIVJLY-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.35
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole

2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2842931) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2842931
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1
InChIInChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2
InChIKeyXYCOPXQUSIVJLY-UHFFFAOYSA-N
XLogP5.35
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2842931) is 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole is Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is XYCOPXQUSIVJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-12-5-7-13(8-6-12)20-15(16-3-1-9-21-16)11-14(19-20)17-4-2-10-22-17/h1-10,15H,11H2.
What are the key properties of 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 328.82 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2842931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).