5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole

C22H21ClF2N2O2 — CID 73296846

IUPAC5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole
SMILESCOc1ccccc1-n1nc(OC2CCC(F)(F)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClF2N2O2/c1-28-20-5-3-2-4-18(20)27-19(15-6-8-16(23)9-7-15)14-21(26-27)29-17-10-12-22(24,25)13-11-17/h2-9,14,17H,10-13H2,1H3
InChIKeyQWTOYMMBYIZUDZ-UHFFFAOYSA-N
MW418.87 g/mol
LogP6.16
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole

5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole (PubChem CID 73296846) has the molecular formula C22H21ClF2N2O2 and a molecular weight of 418.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole
PubChem CID73296846
Molecular FormulaC22H21ClF2N2O2
Molecular Weight418.87 g/mol
Exact Mass418.13
IUPAC Name5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole
SMILESCOc1ccccc1-n1nc(OC2CCC(F)(F)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClF2N2O2/c1-28-20-5-3-2-4-18(20)27-19(15-6-8-16(23)9-7-15)14-21(26-27)29-17-10-12-22(24,25)13-11-17/h2-9,14,17H,10-13H2,1H3
InChIKeyQWTOYMMBYIZUDZ-UHFFFAOYSA-N
XLogP6.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.87
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole (CID 73296846) is 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole is COc1ccccc1-n1nc(OC2CCC(F)(F)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole?
The InChIKey is QWTOYMMBYIZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N2O2/c1-28-20-5-3-2-4-18(20)27-19(15-6-8-16(23)9-7-15)14-21(26-27)29-17-10-12-22(24,25)13-11-17/h2-9,14,17H,10-13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole?
5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole has a molecular weight of 418.87 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole is sourced from PubChem (CID 73296846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).