5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole

C16H12Cl2N2O — CID 22171007

IUPAC5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nccc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H12Cl2N2O/c1-21-13-5-3-12(4-6-13)20-16(8-9-19-20)11-2-7-14(17)15(18)10-11/h2-10H,1H3
InChIKeyHSQVNYHZUBPPKL-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.85
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole

5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole (PubChem CID 22171007) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
PubChem CID22171007
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nccc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H12Cl2N2O/c1-21-13-5-3-12(4-6-13)20-16(8-9-19-20)11-2-7-14(17)15(18)10-11/h2-10H,1H3
InChIKeyHSQVNYHZUBPPKL-UHFFFAOYSA-N
XLogP4.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole (CID 22171007) is 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole is COc1ccc(-n2nccc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole?
The InChIKey is HSQVNYHZUBPPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-21-13-5-3-12(4-6-13)20-16(8-9-19-20)11-2-7-14(17)15(18)10-11/h2-10H,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole?
5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole has a molecular weight of 319.19 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 22171007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).