N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C18H9F9N4O — CID 44588986

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C18H9F9N4O/c19-16(20,21)12-5-6-28-8-11(12)15(32)29-9-1-3-10(4-2-9)31-14(18(25,26)27)7-13(30-31)17(22,23)24/h1-8H,(H,29,32)
InChIKeyXCAHHIVOOXCDDJ-UHFFFAOYSA-N
MW468.28 g/mol
LogP5.58
Rot. Bonds3

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 44588986) has the molecular formula C18H9F9N4O and a molecular weight of 468.28 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID44588986
Molecular FormulaC18H9F9N4O
Molecular Weight468.28 g/mol
Exact Mass468.06
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C18H9F9N4O/c19-16(20,21)12-5-6-28-8-11(12)15(32)29-9-1-3-10(4-2-9)31-14(18(25,26)27)7-13(30-31)17(22,23)24/h1-8H,(H,29,32)
InChIKeyXCAHHIVOOXCDDJ-UHFFFAOYSA-N
XLogP5.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.28
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 44588986) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XCAHHIVOOXCDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F9N4O/c19-16(20,21)12-5-6-28-8-11(12)15(32)29-9-1-3-10(4-2-9)31-14(18(25,26)27)7-13(30-31)17(22,23)24/h1-8H,(H,29,32).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 468.28 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 44588986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).