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

C22H21Cl3N2O — CID 141379304

IUPAC5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
SMILESCc1c(COC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N2O/c1-14-20(13-28-18-4-2-3-5-18)26-27(21-11-10-17(24)12-19(21)25)22(14)15-6-8-16(23)9-7-15/h6-12,18H,2-5,13H2,1H3
InChIKeyUUPFOKXMWHLCFL-UHFFFAOYSA-N
MW435.78 g/mol
LogP7.27
Rot. Bonds5

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

5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole (PubChem CID 141379304) has the molecular formula C22H21Cl3N2O and a molecular weight of 435.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
PubChem CID141379304
Molecular FormulaC22H21Cl3N2O
Molecular Weight435.78 g/mol
Exact Mass434.07
IUPAC Name5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
SMILESCc1c(COC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N2O/c1-14-20(13-28-18-4-2-3-5-18)26-27(21-11-10-17(24)12-19(21)25)22(14)15-6-8-16(23)9-7-15/h6-12,18H,2-5,13H2,1H3
InChIKeyUUPFOKXMWHLCFL-UHFFFAOYSA-N
XLogP7.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.78
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine
CID 10227581
5-(4-bromophenyl)-3-(2-cyclohexylethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
CID 59747719
[1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazol-3-yl]methanol
CID 143943814
5-(4-chlorophenyl)-3-(1-cyclobutylimidazol-4-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole
CID 45484803
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(ethoxymethyl)-4-methylpyrazole;ethane
CID 143816753
1-(2-adamantyl)-4-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]butan-2-one
CID 163689350
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-cyclohexyl-1,3-thiazole
CID 66844147
N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 162699825
1-(1-adamantyl)-4-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]butan-2-one
CID 163711398
3-(2-adamantyl)-N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]propan-1-amine
CID 163624803
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]ethanol
CID 123417609

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole (CID 141379304) is 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole is Cc1c(COC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
The InChIKey is UUPFOKXMWHLCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N2O/c1-14-20(13-28-18-4-2-3-5-18)26-27(21-11-10-17(24)12-19(21)25)22(14)15-6-8-16(23)9-7-15/h6-12,18H,2-5,13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole?
5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole has a molecular weight of 435.78 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(cyclopentyloxymethyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole is sourced from PubChem (CID 141379304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).