5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

C16H14Cl2N2O — CID 42646851

IUPAC5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-11-7-5-10(6-8-11)14-9-15(20-19-14)16-12(17)3-2-4-13(16)18/h2-8,15,20H,9H2,1H3
InChIKeySUQNZSPKRGYIBN-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.44
Rot. Bonds3

About 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole

5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 42646851) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID42646851
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCOc1ccc(C2=NNC(c3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C16H14Cl2N2O/c1-21-11-7-5-10(6-8-11)14-9-15(20-19-14)16-12(17)3-2-4-13(16)18/h2-8,15,20H,9H2,1H3
InChIKeySUQNZSPKRGYIBN-UHFFFAOYSA-N
XLogP4.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CID 42646851) is 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is COc1ccc(C2=NNC(c3c(Cl)cccc3Cl)C2)cc1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is SUQNZSPKRGYIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-21-11-7-5-10(6-8-11)14-9-15(20-19-14)16-12(17)3-2-4-13(16)18/h2-8,15,20H,9H2,1H3.
What are the key properties of 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole?
5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 321.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 42646851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).