3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole

C26H29FN2 — CID 71519033

IUPAC3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
SMILESCC1=C(/C=C/C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)C(C)(C)CCC1
InChIInChI=1S/C26H29FN2/c1-19-8-7-17-26(2,3)24(19)16-15-22-18-25(20-11-13-21(27)14-12-20)29(28-22)23-9-5-4-6-10-23/h4-6,9-16,25H,7-8,17-18H2,1-3H3/b16-15+
InChIKeyJYBSKSUVDPUROD-FOCLMDBBSA-N
MW388.53 g/mol
LogP7.22
Rot. Bonds4

About 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole

3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole (PubChem CID 71519033) has the molecular formula C26H29FN2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
PubChem CID71519033
Molecular FormulaC26H29FN2
Molecular Weight388.53 g/mol
Exact Mass388.23
IUPAC Name3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
SMILESCC1=C(/C=C/C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)C(C)(C)CCC1
InChIInChI=1S/C26H29FN2/c1-19-8-7-17-26(2,3)24(19)16-15-22-18-25(20-11-13-21(27)14-12-20)29(28-22)23-9-5-4-6-10-23/h4-6,9-16,25H,7-8,17-18H2,1-3H3/b16-15+
InChIKeyJYBSKSUVDPUROD-FOCLMDBBSA-N
XLogP7.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
The IUPAC name of 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole (CID 71519033) is 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole is CC1=C(/C=C/C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)C(C)(C)CCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
The InChIKey is JYBSKSUVDPUROD-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H29FN2/c1-19-8-7-17-26(2,3)24(19)16-15-22-18-25(20-11-13-21(27)14-12-20)29(28-22)23-9-5-4-6-10-23/h4-6,9-16,25H,7-8,17-18H2,1-3H3/b16-15+.
What are the key properties of 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole has a molecular weight of 388.53 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 71519033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).