5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

C16H16N2O — CID 12671425

IUPAC5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C16H16N2O/c1-19-14-9-7-13(8-10-14)16-11-15(17-18-16)12-5-3-2-4-6-12/h2-10,16,18H,11H2,1H3
InChIKeyACTGVSCLEPJUOA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.13
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 12671425) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID12671425
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2)cc1
InChIInChI=1S/C16H16N2O/c1-19-14-9-7-13(8-10-14)16-11-15(17-18-16)12-5-3-2-4-6-12/h2-10,16,18H,11H2,1H3
InChIKeyACTGVSCLEPJUOA-UHFFFAOYSA-N
XLogP3.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CID 12671425) is 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole is COc1ccc(C2CC(c3ccccc3)=NN2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is ACTGVSCLEPJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-14-9-7-13(8-10-14)16-11-15(17-18-16)12-5-3-2-4-6-12/h2-10,16,18H,11H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 252.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 12671425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).