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

C16H16N2 — CID 616863

IUPAC2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(N2CCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C16H16N2/c1-13-7-9-15(10-8-13)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyAYHPHTPTBNMSGC-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.61
Rot. Bonds2

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

2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole (PubChem CID 616863) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
PubChem CID616863
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(N2CCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C16H16N2/c1-13-7-9-15(10-8-13)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyAYHPHTPTBNMSGC-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole (CID 616863) is 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole is Cc1ccc(N2CCC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole?
The InChIKey is AYHPHTPTBNMSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13-7-9-15(10-8-13)18-12-11-16(17-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole?
2-(4-methylphenyl)-5-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 2-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 616863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).