5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole

C15H12ClFN2 — CID 127034566

IUPAC5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2=NNC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C15H12ClFN2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2
InChIKeyDGMHVPVUDCUYFJ-UHFFFAOYSA-N
MW274.73 g/mol
LogP3.92
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole

5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 127034566) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID127034566
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
SMILESFc1ccc(C2=NNC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C15H12ClFN2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2
InChIKeyDGMHVPVUDCUYFJ-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole (CID 127034566) is 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is Fc1ccc(C2=NNC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is DGMHVPVUDCUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2.
What are the key properties of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 274.73 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 127034566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).