N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide

C24H23ClF3N3O3 — CID 73296843

IUPACN-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccccc1-n1nc(OC2CCC(NC(=O)C(F)(F)F)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32)
InChIKeyUGCISYLUHGKJKT-UHFFFAOYSA-N
MW493.91 g/mol
LogP5.57
Rot. Bonds6

About N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide

N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 73296843) has the molecular formula C24H23ClF3N3O3 and a molecular weight of 493.91 g/mol. Its IUPAC name is N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID73296843
Molecular FormulaC24H23ClF3N3O3
Molecular Weight493.91 g/mol
Exact Mass493.14
IUPAC NameN-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccccc1-n1nc(OC2CCC(NC(=O)C(F)(F)F)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32)
InChIKeyUGCISYLUHGKJKT-UHFFFAOYSA-N
XLogP5.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.91
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide (CID 73296843) is N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide is COc1ccccc1-n1nc(OC2CCC(NC(=O)C(F)(F)F)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is UGCISYLUHGKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32).
What are the key properties of N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide?
N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 493.91 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxycyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 73296843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).