4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine

C26H33F3N6O — CID 138485174

IUPAC4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine
SMILESCn1c(COc2cccc(C(F)(F)F)c2)nnc1C1CCC(n2cc(C3CCC(N)CC3)cn2)CC1
InChIInChI=1S/C26H33F3N6O/c1-34-24(16-36-23-4-2-3-20(13-23)26(27,28)29)32-33-25(34)18-7-11-22(12-8-18)35-15-19(14-31-35)17-5-9-21(30)10-6-17/h2-4,13-15,17-18,21-22H,5-12,16,30H2,1H3
InChIKeyNZCGOAPGEFQUNV-UHFFFAOYSA-N
MW502.59 g/mol
LogP5.49
Rot. Bonds6

About 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine

4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine (PubChem CID 138485174) has the molecular formula C26H33F3N6O and a molecular weight of 502.59 g/mol. Its IUPAC name is 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine
PubChem CID138485174
Molecular FormulaC26H33F3N6O
Molecular Weight502.59 g/mol
Exact Mass502.27
IUPAC Name4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine
SMILESCn1c(COc2cccc(C(F)(F)F)c2)nnc1C1CCC(n2cc(C3CCC(N)CC3)cn2)CC1
InChIInChI=1S/C26H33F3N6O/c1-34-24(16-36-23-4-2-3-20(13-23)26(27,28)29)32-33-25(34)18-7-11-22(12-8-18)35-15-19(14-31-35)17-5-9-21(30)10-6-17/h2-4,13-15,17-18,21-22H,5-12,16,30H2,1H3
InChIKeyNZCGOAPGEFQUNV-UHFFFAOYSA-N
XLogP5.49
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine with MolForge

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Related Compounds

3-[4-[1-[4-(azetidin-1-yl)cyclohexyl]pyrazol-4-yl]cyclohexyl]-4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
CID 142544473
4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 138481351
2-[[4-methyl-5-[4-[1-(4-methylcyclohexyl)pyrazol-4-yl]cyclohexyl]-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine
CID 162611915
2-[[5-[4-(1-cyclohexylpyrazol-4-yl)cyclohexyl]-4-methyl-1,2,4-triazol-3-yl]methoxy]-4-(trifluoromethyl)pyridine
CID 155261029
4-[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 138484982
6-[4-[4-[4-[4-methyl-5-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-1-yl]cyclohexyl]-1-oxa-6-azaspiro[3.3]heptane
CID 142544418
tert-butyl N-[2-[[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]triazol-4-yl]methoxy]ethyl]carbamate
CID 155261057
methyl 3-[[4-methyl-5-[4-[1-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]pyrazol-4-yl]cyclohexyl]-1,2,4-triazol-3-yl]methoxy]benzoate
CID 142544383
tert-butyl N-[3-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]triazol-4-yl]-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-yl]carbamate
CID 138484968
3-[4-methyl-5-[(3-phenoxyphenoxy)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91787662
2-[4-[5-[[3-[difluoro(phosphanyl)methyl]phenoxy]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclohexyl]oxirane-2-carbaldehyde
CID 154999702
6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine
CID 138481352

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine (CID 138485174) is 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine is Cn1c(COc2cccc(C(F)(F)F)c2)nnc1C1CCC(n2cc(C3CCC(N)CC3)cn2)CC1.
What is the InChIKey of 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine?
The InChIKey is NZCGOAPGEFQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N6O/c1-34-24(16-36-23-4-2-3-20(13-23)26(27,28)29)32-33-25(34)18-7-11-22(12-8-18)35-15-19(14-31-35)17-5-9-21(30)10-6-17/h2-4,13-15,17-18,21-22H,5-12,16,30H2,1H3.
What are the key properties of 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine?
4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine has a molecular weight of 502.59 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]cyclohexyl]pyrazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 138485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).