5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole

C16H13ClN2O — CID 46888076

IUPAC5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13ClN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyRGQXLJGAMROVPZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.41
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 46888076) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID46888076
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1
InChIInChI=1S/C16H13ClN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19)
InChIKeyRGQXLJGAMROVPZ-UHFFFAOYSA-N
XLogP4.41
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 46888076) is 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is RGQXLJGAMROVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-20-14-8-4-12(5-9-14)16-10-15(18-19-16)11-2-6-13(17)7-3-11/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 284.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 46888076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).