3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

C24H19F3N2 — CID 3688363

IUPAC3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFC(F)(F)c1cccc(N2N=C(C=Cc3ccccc3)CC2c2ccccc2)c1
InChIInChI=1S/C24H19F3N2/c25-24(26,27)20-12-7-13-22(16-20)29-23(19-10-5-2-6-11-19)17-21(28-29)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2
InChIKeyZSCCAQFRTCVVOB-UHFFFAOYSA-N
MW392.42 g/mol
LogP6.73
Rot. Bonds4

About 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (PubChem CID 3688363) has the molecular formula C24H19F3N2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
PubChem CID3688363
Molecular FormulaC24H19F3N2
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESFC(F)(F)c1cccc(N2N=C(C=Cc3ccccc3)CC2c2ccccc2)c1
InChIInChI=1S/C24H19F3N2/c25-24(26,27)20-12-7-13-22(16-20)29-23(19-10-5-2-6-11-19)17-21(28-29)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2
InChIKeyZSCCAQFRTCVVOB-UHFFFAOYSA-N
XLogP6.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.42
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The IUPAC name of 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (CID 3688363) is 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The canonical SMILES for 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is FC(F)(F)c1cccc(N2N=C(C=Cc3ccccc3)CC2c2ccccc2)c1.
What is the InChIKey of 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The InChIKey is ZSCCAQFRTCVVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2/c25-24(26,27)20-12-7-13-22(16-20)29-23(19-10-5-2-6-11-19)17-21(28-29)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2.
What are the key properties of 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole has a molecular weight of 392.42 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 3688363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).