5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole

C15H16Cl2N2O — CID 117232891

IUPAC5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
SMILESClc1cccc(-n2ncc(OC3CCCCC3)c2Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c16-11-5-4-6-12(9-11)19-15(17)14(10-18-19)20-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2
InChIKeyOQRNGFIJIBNNQO-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.89
Rot. Bonds3

About 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole

5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole (PubChem CID 117232891) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole.

Molecular Properties

Compound Name5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
PubChem CID117232891
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
SMILESClc1cccc(-n2ncc(OC3CCCCC3)c2Cl)c1
InChIInChI=1S/C15H16Cl2N2O/c16-11-5-4-6-12(9-11)19-15(17)14(10-18-19)20-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2
InChIKeyOQRNGFIJIBNNQO-UHFFFAOYSA-N
XLogP4.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole?
The IUPAC name of 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole (CID 117232891) is 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole.
What is the SMILES notation for 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole?
The canonical SMILES for 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole is Clc1cccc(-n2ncc(OC3CCCCC3)c2Cl)c1.
What is the InChIKey of 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole?
The InChIKey is OQRNGFIJIBNNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-11-5-4-6-12(9-11)19-15(17)14(10-18-19)20-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2.
What are the key properties of 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole?
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole has a molecular weight of 311.21 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole is sourced from PubChem (CID 117232891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).