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

C17H18N2 — CID 21129709

IUPAC2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(C)C(c3ccccc3)C2)cc1
InChIInChI=1S/C17H18N2/c1-13-8-10-14(11-9-13)16-12-17(19(2)18-16)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKeyQDMVTHLTMPFAPG-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.78
Rot. Bonds2

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

2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 21129709) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID21129709
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(C)C(c3ccccc3)C2)cc1
InChIInChI=1S/C17H18N2/c1-13-8-10-14(11-9-13)16-12-17(19(2)18-16)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKeyQDMVTHLTMPFAPG-UHFFFAOYSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole (CID 21129709) is 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(C)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is QDMVTHLTMPFAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13-8-10-14(11-9-13)16-12-17(19(2)18-16)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 250.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 21129709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).