1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol

C24H25Cl3N2O — CID 71654047

IUPAC1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
SMILESCc1c(C(O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3
InChIKeySAWBLEZJQLDKMD-UHFFFAOYSA-N
MW463.84 g/mol
LogP7.81
Rot. Bonds5

About 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol

1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol (PubChem CID 71654047) has the molecular formula C24H25Cl3N2O and a molecular weight of 463.84 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
PubChem CID71654047
Molecular FormulaC24H25Cl3N2O
Molecular Weight463.84 g/mol
Exact Mass462.10
IUPAC Name1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
SMILESCc1c(C(O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3
InChIKeySAWBLEZJQLDKMD-UHFFFAOYSA-N
XLogP7.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.84
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[12-Chloro-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-5-yl]-2-cyclohexylethanol
CID 59450184
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-(4-fluoro-benzyloxymethyl)-4-methyl-1H-pyrazole
CID 9912830
5-(4-Chloro-phenyl)-3-cyclohexylmethoxymethyl-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole
CID 10115722
1-[2-[[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine
CID 10227581
[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol
CID 86567561
3-[5-(4-Chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol
CID 14497415
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375
1-(4-Chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol
CID 50908376
2-[3-(4-Chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-phenylethanol
CID 50908373
[3-(2,4-Dichlorophenyl)-12-(3-fluoropropyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-5-yl]methanol
CID 134840789
(3-Chlorophenyl)-(5-methyl-2-phenylpyrazol-3-yl)methanol
CID 121005639
1-[1-(4-Chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]cyclohexane-1,4-diol
CID 58399398

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol?
The IUPAC name of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol (CID 71654047) is 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol is Cc1c(C(O)CC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol?
The InChIKey is SAWBLEZJQLDKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol?
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol has a molecular weight of 463.84 g/mol, XLogP of 7.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol is sourced from PubChem (CID 71654047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).