1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C25H28ClF3N6O3 — CID 66687092

IUPAC1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1nc(N(CCNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)C(=O)C2CCCCC2)no1
InChIInChI=1S/C25H28ClF3N6O3/c1-15(2)22-31-24(33-38-22)34(23(37)16-6-4-3-5-7-16)13-12-30-21(36)19-14-35(32-20(19)25(27,28)29)18-10-8-17(26)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,30,36)
InChIKeyODFAYVUEYHSZMV-UHFFFAOYSA-N
MW552.99 g/mol
LogP5.39
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 66687092) has the molecular formula C25H28ClF3N6O3 and a molecular weight of 552.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID66687092
Molecular FormulaC25H28ClF3N6O3
Molecular Weight552.99 g/mol
Exact Mass552.19
IUPAC Name1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1nc(N(CCNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)C(=O)C2CCCCC2)no1
InChIInChI=1S/C25H28ClF3N6O3/c1-15(2)22-31-24(33-38-22)34(23(37)16-6-4-3-5-7-16)13-12-30-21(36)19-14-35(32-20(19)25(27,28)29)18-10-8-17(26)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,30,36)
InChIKeyODFAYVUEYHSZMV-UHFFFAOYSA-N
XLogP5.39
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.99
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 66687092) is 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)c1nc(N(CCNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)C(=O)C2CCCCC2)no1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ODFAYVUEYHSZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N6O3/c1-15(2)22-31-24(33-38-22)34(23(37)16-6-4-3-5-7-16)13-12-30-21(36)19-14-35(32-20(19)25(27,28)29)18-10-8-17(26)9-11-18/h8-11,14-16H,3-7,12-13H2,1-2H3,(H,30,36).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 552.99 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[cyclohexanecarbonyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 66687092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).