5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole

C22H17ClN2O — CID 166625280

IUPAC5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)[nH]n2)cc1
InChIInChI=1S/C22H17ClN2O/c1-26-20-12-8-18(9-13-20)22-14-21(24-25-22)17-4-2-15(3-5-17)16-6-10-19(23)11-7-16/h2-14H,1H3,(H,24,25)
InChIKeyAJIJDTDIIWLDSF-UHFFFAOYSA-N
MW360.84 g/mol
LogP6.07
Rot. Bonds4

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

5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 166625280) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID166625280
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)[nH]n2)cc1
InChIInChI=1S/C22H17ClN2O/c1-26-20-12-8-18(9-13-20)22-14-21(24-25-22)17-4-2-15(3-5-17)16-6-10-19(23)11-7-16/h2-14H,1H3,(H,24,25)
InChIKeyAJIJDTDIIWLDSF-UHFFFAOYSA-N
XLogP6.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole (CID 166625280) is 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccc(-c4ccc(Cl)cc4)cc3)[nH]n2)cc1.
What is the InChIKey of 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is AJIJDTDIIWLDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c1-26-20-12-8-18(9-13-20)22-14-21(24-25-22)17-4-2-15(3-5-17)16-6-10-19(23)11-7-16/h2-14H,1H3,(H,24,25).
What are the key properties of 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole?
5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 360.84 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 166625280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).