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

C15H14N2 — CID 12596325

IUPAC3,4-diphenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc(C2CN=NC2c2ccccc2)cc1
InChIInChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyRSJUYMGQRYUCRF-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.98
Rot. Bonds2

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

3,4-diphenyl-4,5-dihydro-3H-pyrazole (PubChem CID 12596325) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,4-diphenyl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3,4-diphenyl-4,5-dihydro-3H-pyrazole
PubChem CID12596325
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3,4-diphenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc(C2CN=NC2c2ccccc2)cc1
InChIInChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyRSJUYMGQRYUCRF-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3,4-diphenyl-4,5-dihydro-3H-pyrazole (CID 12596325) is 3,4-diphenyl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3,4-diphenyl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3,4-diphenyl-4,5-dihydro-3H-pyrazole is c1ccc(C2CN=NC2c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-4,5-dihydro-3H-pyrazole?
The InChIKey is RSJUYMGQRYUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of 3,4-diphenyl-4,5-dihydro-3H-pyrazole?
3,4-diphenyl-4,5-dihydro-3H-pyrazole has a molecular weight of 222.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 12596325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).