5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C21H20F3N3O3 — CID 148843161

IUPAC5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCCCCC(=O)c1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1cnn(C)c1
InChIInChI=1S/C21H20F3N3O3/c1-3-4-5-19(28)17-10-20(29)27(13-18(17)14-11-25-26(2)12-14)15-6-8-16(9-7-15)30-21(22,23)24/h6-13H,3-5H2,1-2H3
InChIKeyOVYDJIABNDEWNE-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.51
Rot. Bonds7

About 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one

5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 148843161) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID148843161
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCCCCC(=O)c1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1cnn(C)c1
InChIInChI=1S/C21H20F3N3O3/c1-3-4-5-19(28)17-10-20(29)27(13-18(17)14-11-25-26(2)12-14)15-6-8-16(9-7-15)30-21(22,23)24/h6-13H,3-5H2,1-2H3
InChIKeyOVYDJIABNDEWNE-UHFFFAOYSA-N
XLogP4.51
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 148843161) is 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is CCCCC(=O)c1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)cc1-c1cnn(C)c1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is OVYDJIABNDEWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-3-4-5-19(28)17-10-20(29)27(13-18(17)14-11-25-26(2)12-14)15-6-8-16(9-7-15)30-21(22,23)24/h6-13H,3-5H2,1-2H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 419.40 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-4-pentanoyl-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 148843161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).