4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole

C22H16Cl2N2O — CID 175328321

IUPAC4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
SMILESCOc1ccc(-c2ccccc2-n2ncc(Cl)c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H16Cl2N2O/c1-27-18-11-9-15(10-12-18)19-7-2-3-8-21(19)26-22(20(24)14-25-26)16-5-4-6-17(23)13-16/h2-14H,1H3
InChIKeyXWZCHOZJJKZAER-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.52
Rot. Bonds4

About 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole

4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole (PubChem CID 175328321) has the molecular formula C22H16Cl2N2O and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
PubChem CID175328321
Molecular FormulaC22H16Cl2N2O
Molecular Weight395.29 g/mol
Exact Mass394.06
IUPAC Name4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole
SMILESCOc1ccc(-c2ccccc2-n2ncc(Cl)c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H16Cl2N2O/c1-27-18-11-9-15(10-12-18)19-7-2-3-8-21(19)26-22(20(24)14-25-26)16-5-4-6-17(23)13-16/h2-14H,1H3
InChIKeyXWZCHOZJJKZAER-UHFFFAOYSA-N
XLogP6.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
The IUPAC name of 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole (CID 175328321) is 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
The canonical SMILES for 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole is COc1ccc(-c2ccccc2-n2ncc(Cl)c2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
The InChIKey is XWZCHOZJJKZAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O/c1-27-18-11-9-15(10-12-18)19-7-2-3-8-21(19)26-22(20(24)14-25-26)16-5-4-6-17(23)13-16/h2-14H,1H3.
What are the key properties of 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole?
4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole has a molecular weight of 395.29 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)phenyl]pyrazole is sourced from PubChem (CID 175328321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).