5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole

C16H15ClN2 — CID 11842294

IUPAC5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole
SMILESCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C16H15ClN2/c1-19-11-15(12-5-3-2-4-6-12)16(18-19)13-7-9-14(17)10-8-13/h2-10,15H,11H2,1H3
InChIKeyOKFGPCBKOCVTRJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.77
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole

5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole (PubChem CID 11842294) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole
PubChem CID11842294
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole
SMILESCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C16H15ClN2/c1-19-11-15(12-5-3-2-4-6-12)16(18-19)13-7-9-14(17)10-8-13/h2-10,15H,11H2,1H3
InChIKeyOKFGPCBKOCVTRJ-UHFFFAOYSA-N
XLogP3.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-2-methyl-4-phenyl-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 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole (CID 11842294) is 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole is CN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole?
The InChIKey is OKFGPCBKOCVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-19-11-15(12-5-3-2-4-6-12)16(18-19)13-7-9-14(17)10-8-13/h2-10,15H,11H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole has a molecular weight of 270.76 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-4-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 11842294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).