3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole

C22H20N2 — CID 2729183

IUPAC3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKeyZDTNKHNZNGPMJY-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.35
Rot. Bonds3

About 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole

3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 2729183) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID2729183
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKeyZDTNKHNZNGPMJY-UHFFFAOYSA-N
XLogP5.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenyl)-2,5-diphenyl-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

Related Compounds

1,3-Diphenyl-4,5-dihydro-1H-pyrazole
CID 302304
1H-Pyrazole, 4,5-dihydro-1,3,5-triphenyl-
CID 95937
3,5-Bis(4-chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazole
CID 561652
Benzaldehyde, 4-(diethylamino)-, 2,2-diphenylhydrazone
CID 92377
3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 616784
1H-Pyrazole, 4,5-dihydro-3-(4-methylphenyl)-1-phenyl-
CID 616747
3-(4-Chlorophenyl)-4,5-dihydro-1,5-diphenyl-1H-pyrazole
CID 101167
4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo(6,7)cyclohepta(1,2)pyrazol-3-yl)-N,N-dimethylbenzenamine
CID 2737866
Acetamide, N-[4-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)phenyl]-
CID 3292253
1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 2827281
5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349864
5-(2-Naphthalenyl)-1,3-diphenyl-2-pyrazoline
CID 11617204

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 2729183) is 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is ZDTNKHNZNGPMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 312.42 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2729183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).