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

C16H16N2O — CID 11701569

IUPAC5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2=NN(c3ccccc3)CC2)c1
InChIInChI=1S/C16H16N2O/c1-19-15-9-5-6-13(12-15)16-10-11-18(17-16)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3
InChIKeyZQUHYMHHSALAJU-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.31
Rot. Bonds3

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

5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 11701569) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID11701569
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1cccc(C2=NN(c3ccccc3)CC2)c1
InChIInChI=1S/C16H16N2O/c1-19-15-9-5-6-13(12-15)16-10-11-18(17-16)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3
InChIKeyZQUHYMHHSALAJU-UHFFFAOYSA-N
XLogP3.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 11701569) is 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1cccc(C2=NN(c3ccccc3)CC2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is ZQUHYMHHSALAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-15-9-5-6-13(12-15)16-10-11-18(17-16)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 252.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 11701569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).