5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide

C25H33F5N4O3 — CID 153296795

IUPAC5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H33F5N4O3/c1-5-34-21(16(4)20(33-34)22(35)32-13-24(36)8-6-14(2)7-9-24)18-12-31-17(10-15(3)25(28,29)30)11-19(18)37-23(26)27/h11-12,14-15,23,36H,5-10,13H2,1-4H3,(H,32,35)/t14?,15-,24?/m1/s1
InChIKeyWILDWMLYWLOOHE-JEKYJLJSSA-N
MW532.55 g/mol
LogP5.29
Rot. Bonds9

About 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide

5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide (PubChem CID 153296795) has the molecular formula C25H33F5N4O3 and a molecular weight of 532.55 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
PubChem CID153296795
Molecular FormulaC25H33F5N4O3
Molecular Weight532.55 g/mol
Exact Mass532.25
IUPAC Name5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H33F5N4O3/c1-5-34-21(16(4)20(33-34)22(35)32-13-24(36)8-6-14(2)7-9-24)18-12-31-17(10-15(3)25(28,29)30)11-19(18)37-23(26)27/h11-12,14-15,23,36H,5-10,13H2,1-4H3,(H,32,35)/t14?,15-,24?/m1/s1
InChIKeyWILDWMLYWLOOHE-JEKYJLJSSA-N
XLogP5.29
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide (CID 153296795) is 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is WILDWMLYWLOOHE-JEKYJLJSSA-N. The full InChI is InChI=1S/C25H33F5N4O3/c1-5-34-21(16(4)20(33-34)22(35)32-13-24(36)8-6-14(2)7-9-24)18-12-31-17(10-15(3)25(28,29)30)11-19(18)37-23(26)27/h11-12,14-15,23,36H,5-10,13H2,1-4H3,(H,32,35)/t14?,15-,24?/m1/s1.
What are the key properties of 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide?
5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 532.55 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 153296795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).