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

C24H25Cl3N2O — CID 10115722

IUPAC5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
SMILESCc1c(COCC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl3N2O/c1-16-22(15-30-14-17-5-3-2-4-6-17)28-29(23-12-11-20(26)13-21(23)27)24(16)18-7-9-19(25)10-8-18/h7-13,17H,2-6,14-15H2,1H3
InChIKeyOSBKVRQJIIMPNG-UHFFFAOYSA-N
MW463.84 g/mol
LogP7.90
Rot. Bonds6

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

5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole (PubChem CID 10115722) has the molecular formula C24H25Cl3N2O and a molecular weight of 463.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
PubChem CID10115722
Molecular FormulaC24H25Cl3N2O
Molecular Weight463.84 g/mol
Exact Mass462.10
IUPAC Name5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
SMILESCc1c(COCC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl3N2O/c1-16-22(15-30-14-17-5-3-2-4-6-17)28-29(23-12-11-20(26)13-21(23)27)24(16)18-7-9-19(25)10-8-18/h7-13,17H,2-6,14-15H2,1H3
InChIKeyOSBKVRQJIIMPNG-UHFFFAOYSA-N
XLogP7.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole (CID 10115722) is 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole is Cc1c(COCC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
The InChIKey is OSBKVRQJIIMPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl3N2O/c1-16-22(15-30-14-17-5-3-2-4-6-17)28-29(23-12-11-20(26)13-21(23)27)24(16)18-7-9-19(25)10-8-18/h7-13,17H,2-6,14-15H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole has a molecular weight of 463.84 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(cyclohexylmethoxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole is sourced from PubChem (CID 10115722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).