4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide

C32H38F3N3O3 — CID 135329969

IUPAC4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C(F)(F)F)c4)c3)CC2)cc1C
InChIInChI=1S/C32H38F3N3O3/c1-21-16-26(12-15-30(21)41-2)23-8-6-22(7-9-23)19-37(31(40)24-10-13-29(39)14-11-24)28-5-3-4-25(17-28)27-18-36-38(20-27)32(33,34)35/h3-5,12,15-18,20,22-24,29,39H,6-11,13-14,19H2,1-2H3
InChIKeyRUOSBHZPYRNCIF-UHFFFAOYSA-N
MW569.67 g/mol
LogP7.20
Rot. Bonds7

About 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 135329969) has the molecular formula C32H38F3N3O3 and a molecular weight of 569.67 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID135329969
Molecular FormulaC32H38F3N3O3
Molecular Weight569.67 g/mol
Exact Mass569.29
IUPAC Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C(F)(F)F)c4)c3)CC2)cc1C
InChIInChI=1S/C32H38F3N3O3/c1-21-16-26(12-15-30(21)41-2)23-8-6-22(7-9-23)19-37(31(40)24-10-13-29(39)14-11-24)28-5-3-4-25(17-28)27-18-36-38(20-27)32(33,34)35/h3-5,12,15-18,20,22-24,29,39H,6-11,13-14,19H2,1-2H3
InChIKeyRUOSBHZPYRNCIF-UHFFFAOYSA-N
XLogP7.20
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide (CID 135329969) is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4cnn(C(F)(F)F)c4)c3)CC2)cc1C.
What is the InChIKey of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is RUOSBHZPYRNCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N3O3/c1-21-16-26(12-15-30(21)41-2)23-8-6-22(7-9-23)19-37(31(40)24-10-13-29(39)14-11-24)28-5-3-4-25(17-28)27-18-36-38(20-27)32(33,34)35/h3-5,12,15-18,20,22-24,29,39H,6-11,13-14,19H2,1-2H3.
What are the key properties of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 569.67 g/mol, XLogP of 7.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).