(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

C22H15F5N2 — CID 7209562

IUPAC(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H15F5N2/c23-17-8-4-14(5-9-17)20-13-21(15-6-10-18(24)11-7-15)29(28-20)19-3-1-2-16(12-19)22(25,26)27/h1-12,21H,13H2/t21-/m0/s1
InChIKeySJUSOLHHADSRHT-NRFANRHFSA-N
MW402.37 g/mol
LogP6.34
Rot. Bonds3

About (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (PubChem CID 7209562) has the molecular formula C22H15F5N2 and a molecular weight of 402.37 g/mol. Its IUPAC name is (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
PubChem CID7209562
Molecular FormulaC22H15F5N2
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H15F5N2/c23-17-8-4-14(5-9-17)20-13-21(15-6-10-18(24)11-7-15)29(28-20)19-3-1-2-16(12-19)22(25,26)27/h1-12,21H,13H2/t21-/m0/s1
InChIKeySJUSOLHHADSRHT-NRFANRHFSA-N
XLogP6.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The IUPAC name of (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (CID 7209562) is (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The InChIKey is SJUSOLHHADSRHT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H15F5N2/c23-17-8-4-14(5-9-17)20-13-21(15-6-10-18(24)11-7-15)29(28-20)19-3-1-2-16(12-19)22(25,26)27/h1-12,21H,13H2/t21-/m0/s1.
What are the key properties of (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
(3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole has a molecular weight of 402.37 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-bis(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 7209562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).