2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole

C19H15FN2S — CID 2854033

IUPAC2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESFc1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1
InChIInChI=1S/C19H15FN2S/c20-15-8-10-16(11-9-15)22-18(14-5-2-1-3-6-14)13-17(21-22)19-7-4-12-23-19/h1-12,18H,13H2
InChIKeyJQVMGSLZINJSQX-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.24
Rot. Bonds3

About 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole

2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2854033) has the molecular formula C19H15FN2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2854033
Molecular FormulaC19H15FN2S
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESFc1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1
InChIInChI=1S/C19H15FN2S/c20-15-8-10-16(11-9-15)22-18(14-5-2-1-3-6-14)13-17(21-22)19-7-4-12-23-19/h1-12,18H,13H2
InChIKeyJQVMGSLZINJSQX-UHFFFAOYSA-N
XLogP5.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2854033) is 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is Fc1ccc(N2N=C(c3cccs3)CC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is JQVMGSLZINJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2S/c20-15-8-10-16(11-9-15)22-18(14-5-2-1-3-6-14)13-17(21-22)19-7-4-12-23-19/h1-12,18H,13H2.
What are the key properties of 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 322.41 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).