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

C26H29ClN2 — CID 71519030

IUPAC3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
SMILESCC1=C(/C=C/C2=NN(c3ccccc3)C(c3ccccc3Cl)C2)C(C)(C)CCC1
InChIInChI=1S/C26H29ClN2/c1-19-10-9-17-26(2,3)23(19)16-15-20-18-25(22-13-7-8-14-24(22)27)29(28-20)21-11-5-4-6-12-21/h4-8,11-16,25H,9-10,17-18H2,1-3H3/b16-15+
InChIKeyQNAKIEVOFAWVTC-FOCLMDBBSA-N
MW404.99 g/mol
LogP7.73
Rot. Bonds4

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

3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole (PubChem CID 71519030) has the molecular formula C26H29ClN2 and a molecular weight of 404.99 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
PubChem CID71519030
Molecular FormulaC26H29ClN2
Molecular Weight404.99 g/mol
Exact Mass404.20
IUPAC Name3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
SMILESCC1=C(/C=C/C2=NN(c3ccccc3)C(c3ccccc3Cl)C2)C(C)(C)CCC1
InChIInChI=1S/C26H29ClN2/c1-19-10-9-17-26(2,3)23(19)16-15-20-18-25(22-13-7-8-14-24(22)27)29(28-20)21-11-5-4-6-12-21/h4-8,11-16,25H,9-10,17-18H2,1-3H3/b16-15+
InChIKeyQNAKIEVOFAWVTC-FOCLMDBBSA-N
XLogP7.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.99
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-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-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
The IUPAC name of 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole (CID 71519030) is 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole is CC1=C(/C=C/C2=NN(c3ccccc3)C(c3ccccc3Cl)C2)C(C)(C)CCC1.
What is the InChIKey of 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
The InChIKey is QNAKIEVOFAWVTC-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H29ClN2/c1-19-10-9-17-26(2,3)23(19)16-15-20-18-25(22-13-7-8-14-24(22)27)29(28-20)21-11-5-4-6-12-21/h4-8,11-16,25H,9-10,17-18H2,1-3H3/b16-15+.
What are the key properties of 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole?
3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole has a molecular weight of 404.99 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 71519030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).