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

C16H16N2 — CID 11658734

IUPAC5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(c3ccccc3)CC2)c1
InChIInChI=1S/C16H16N2/c1-13-6-5-7-14(12-13)16-10-11-18(17-16)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
InChIKeyIRWSGBFEWYRZGP-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.61
Rot. Bonds2

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

5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 11658734) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID11658734
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(c3ccccc3)CC2)c1
InChIInChI=1S/C16H16N2/c1-13-6-5-7-14(12-13)16-10-11-18(17-16)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
InChIKeyIRWSGBFEWYRZGP-UHFFFAOYSA-N
XLogP3.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3-methylphenyl)-2-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-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 11658734) is 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole is Cc1cccc(C2=NN(c3ccccc3)CC2)c1.
What is the InChIKey of 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is IRWSGBFEWYRZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-6-5-7-14(12-13)16-10-11-18(17-16)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 236.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 11658734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).