5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole

C17H13Cl3N2O — CID 66839207

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole
SMILESCOc1c(C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl3N2O/c1-10-17(23-2)16(11-3-5-12(18)6-4-11)22(21-10)15-8-7-13(19)9-14(15)20/h3-9H,1-2H3
InChIKeyRBSFQVAVWQGTCW-UHFFFAOYSA-N
MW367.66 g/mol
LogP5.82
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole (PubChem CID 66839207) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole
PubChem CID66839207
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole
SMILESCOc1c(C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl3N2O/c1-10-17(23-2)16(11-3-5-12(18)6-4-11)22(21-10)15-8-7-13(19)9-14(15)20/h3-9H,1-2H3
InChIKeyRBSFQVAVWQGTCW-UHFFFAOYSA-N
XLogP5.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole (CID 66839207) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole is COc1c(C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole?
The InChIKey is RBSFQVAVWQGTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c1-10-17(23-2)16(11-3-5-12(18)6-4-11)22(21-10)15-8-7-13(19)9-14(15)20/h3-9H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole has a molecular weight of 367.66 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methoxy-3-methylpyrazole is sourced from PubChem (CID 66839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).