(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

C23H19FN2 — CID 7188125

IUPAC(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
SMILESFc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1
InChIInChI=1S/C23H19FN2/c24-20-12-7-13-22(16-20)26-23(19-10-5-2-6-11-19)17-21(25-26)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2/b15-14+/t23-/m0/s1
InChIKeyJJYWCZBOEDZFSM-NSFRLNINSA-N
MW342.42 g/mol
LogP5.85
Rot. Bonds4

About (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole

(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole (PubChem CID 7188125) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
PubChem CID7188125
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC Name(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
SMILESFc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1
InChIInChI=1S/C23H19FN2/c24-20-12-7-13-22(16-20)26-23(19-10-5-2-6-11-19)17-21(25-26)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2/b15-14+/t23-/m0/s1
InChIKeyJJYWCZBOEDZFSM-NSFRLNINSA-N
XLogP5.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 92910023
3-phenyl-5-(2-phenylethenyl)-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 3688363
(3R)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 7329476
2-phenyl-5-[4-[(E)-2-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 98388512
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
(3R)-2-(2,4-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7452261
2-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethenyl]-3,4-dihydropyrazole
CID 3112386
4-[5-[2-(4-tert-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 69048476
3-(4-butylphenyl)-5-[2-(4-butylphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 54544845
3-(3,5-dimethoxyphenyl)-5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 67335414
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160988

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The IUPAC name of (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole (CID 7188125) is (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The canonical SMILES for (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is Fc1cccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)c1.
What is the InChIKey of (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
The InChIKey is JJYWCZBOEDZFSM-NSFRLNINSA-N. The full InChI is InChI=1S/C23H19FN2/c24-20-12-7-13-22(16-20)26-23(19-10-5-2-6-11-19)17-21(25-26)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2/b15-14+/t23-/m0/s1.
What are the key properties of (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole?
(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole has a molecular weight of 342.42 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 7188125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).