5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide

C24H20F6N4O2 — CID 89463692

IUPAC5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C24H20F6N4O2/c25-23(26,27)16-6-9-20(31-12-16)36-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)33-22(35)19-13-32-34-21(19)24(28,29)30/h1-3,6,9-13,17H,4-5,7-8H2,(H,32,34)(H,33,35)/b14-10-
InChIKeyABKHHIRQKMQJNQ-UVTDQMKNSA-N
MW510.44 g/mol
LogP6.39
Rot. Bonds5

About 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide

5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 89463692) has the molecular formula C24H20F6N4O2 and a molecular weight of 510.44 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID89463692
Molecular FormulaC24H20F6N4O2
Molecular Weight510.44 g/mol
Exact Mass510.15
IUPAC Name5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C24H20F6N4O2/c25-23(26,27)16-6-9-20(31-12-16)36-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)33-22(35)19-13-32-34-21(19)24(28,29)30/h1-3,6,9-13,17H,4-5,7-8H2,(H,32,34)(H,33,35)/b14-10-
InChIKeyABKHHIRQKMQJNQ-UVTDQMKNSA-N
XLogP6.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.44
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
3-(4-fluorophenyl)-N-[3-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138606
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide
CID 71544012
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-2H-triazole-4-carboxamide
CID 71544130
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 89463230
6-pyrazol-1-yl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463802
US11180484, Example 6
CID 139301871
[5-(2-Fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71559936
[5-(2,3-Difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561367

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide (CID 89463692) is 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ABKHHIRQKMQJNQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C24H20F6N4O2/c25-23(26,27)16-6-9-20(31-12-16)36-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)33-22(35)19-13-32-34-21(19)24(28,29)30/h1-3,6,9-13,17H,4-5,7-8H2,(H,32,34)(H,33,35)/b14-10-.
What are the key properties of 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide?
5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 510.44 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 89463692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).