3,5-diphenyl-4,5-dihydro-3H-pyrazole

C15H14N2 — CID 12616610

IUPAC3,5-diphenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc(C2CC(c3ccccc3)N=N2)cc1
InChIInChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyOXKMXFFCZFWVQJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.32
Rot. Bonds2

About 3,5-diphenyl-4,5-dihydro-3H-pyrazole

3,5-diphenyl-4,5-dihydro-3H-pyrazole (PubChem CID 12616610) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,5-diphenyl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3,5-diphenyl-4,5-dihydro-3H-pyrazole
PubChem CID12616610
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3,5-diphenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc(C2CC(c3ccccc3)N=N2)cc1
InChIInChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyOXKMXFFCZFWVQJ-UHFFFAOYSA-N
XLogP4.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3,5-diphenyl-4,5-dihydro-3H-pyrazole (CID 12616610) is 3,5-diphenyl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3,5-diphenyl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3,5-diphenyl-4,5-dihydro-3H-pyrazole is c1ccc(C2CC(c3ccccc3)N=N2)cc1.
What is the InChIKey of 3,5-diphenyl-4,5-dihydro-3H-pyrazole?
The InChIKey is OXKMXFFCZFWVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 3,5-diphenyl-4,5-dihydro-3H-pyrazole?
3,5-diphenyl-4,5-dihydro-3H-pyrazole has a molecular weight of 222.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 12616610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).