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

C23H21F3N4O2 — CID 89463230

IUPACN-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccn[nH]1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-6-9-21(27-14-17)32-19-3-1-2-16(13-19)12-15-4-7-18(8-5-15)29-22(31)20-10-11-28-30-20/h1-3,6,9-14,18H,4-5,7-8H2,(H,28,30)(H,29,31)/b15-12-
InChIKeyFAGGWGJTJJMQQE-QINSGFPZSA-N
MW442.44 g/mol
LogP5.37
Rot. Bonds5

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

N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 89463230) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID89463230
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccn[nH]1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)17-6-9-21(27-14-17)32-19-3-1-2-16(13-19)12-15-4-7-18(8-5-15)29-22(31)20-10-11-28-30-20/h1-3,6,9-14,18H,4-5,7-8H2,(H,28,30)(H,29,31)/b15-12-
InChIKeyFAGGWGJTJJMQQE-QINSGFPZSA-N
XLogP5.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide (CID 89463230) is N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FAGGWGJTJJMQQE-QINSGFPZSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)17-6-9-21(27-14-17)32-19-3-1-2-16(13-19)12-15-4-7-18(8-5-15)29-22(31)20-10-11-28-30-20/h1-3,6,9-14,18H,4-5,7-8H2,(H,28,30)(H,29,31)/b15-12-.
What are the key properties of N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide?
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 89463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).