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

C25H23Cl3N4O — CID 24810484

IUPAC2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(CC3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23Cl3N4O/c1-15-23(25-30-29-22(33-25)13-16-5-3-2-4-6-16)31-32(21-12-11-19(27)14-20(21)28)24(15)17-7-9-18(26)10-8-17/h7-12,14,16H,2-6,13H2,1H3
InChIKeyIQHKCBDJEDRTQZ-UHFFFAOYSA-N
MW501.85 g/mol
LogP7.98
Rot. Bonds5

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

2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole (PubChem CID 24810484) has the molecular formula C25H23Cl3N4O and a molecular weight of 501.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole
PubChem CID24810484
Molecular FormulaC25H23Cl3N4O
Molecular Weight501.85 g/mol
Exact Mass500.09
IUPAC Name2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(CC3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H23Cl3N4O/c1-15-23(25-30-29-22(33-25)13-16-5-3-2-4-6-16)31-32(21-12-11-19(27)14-20(21)28)24(15)17-7-9-18(26)10-8-17/h7-12,14,16H,2-6,13H2,1H3
InChIKeyIQHKCBDJEDRTQZ-UHFFFAOYSA-N
XLogP7.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.85
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole (CID 24810484) is 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole is Cc1c(-c2nnc(CC3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole?
The InChIKey is IQHKCBDJEDRTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N4O/c1-15-23(25-30-29-22(33-25)13-16-5-3-2-4-6-16)31-32(21-12-11-19(27)14-20(21)28)24(15)17-7-9-18(26)10-8-17/h7-12,14,16H,2-6,13H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole?
2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole has a molecular weight of 501.85 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-(cyclohexylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24810484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).