3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C28H27F3N4O4 — CID 121365060

IUPAC3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C28H27F3N4O4/c1-38-18-25-23(27(37)32-14-21-13-22(39-2)10-11-24(21)28(29,30)31)17-35(33-25)16-20-8-6-19(7-9-20)15-34-12-4-3-5-26(34)36/h3-13,17H,14-16,18H2,1-2H3,(H,32,37)
InChIKeyFKGBWMYRUOPIHY-UHFFFAOYSA-N
MW540.54 g/mol
LogP4.25
Rot. Bonds10

About 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 121365060) has the molecular formula C28H27F3N4O4 and a molecular weight of 540.54 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID121365060
Molecular FormulaC28H27F3N4O4
Molecular Weight540.54 g/mol
Exact Mass540.20
IUPAC Name3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C(F)(F)F
InChIInChI=1S/C28H27F3N4O4/c1-38-18-25-23(27(37)32-14-21-13-22(39-2)10-11-24(21)28(29,30)31)17-35(33-25)16-20-8-6-19(7-9-20)15-34-12-4-3-5-26(34)36/h3-13,17H,14-16,18H2,1-2H3,(H,32,37)
InChIKeyFKGBWMYRUOPIHY-UHFFFAOYSA-N
XLogP4.25
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 121365060) is 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is FKGBWMYRUOPIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O4/c1-38-18-25-23(27(37)32-14-21-13-22(39-2)10-11-24(21)28(29,30)31)17-35(33-25)16-20-8-6-19(7-9-20)15-34-12-4-3-5-26(34)36/h3-13,17H,14-16,18H2,1-2H3,(H,32,37).
What are the key properties of 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 540.54 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121365060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).