6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one

C14H16F3N3O — CID 72886307

IUPAC6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cnn(CCCn2c(C)cc(C(F)(F)F)cc2=O)c1
InChIInChI=1S/C14H16F3N3O/c1-10-8-18-19(9-10)4-3-5-20-11(2)6-12(7-13(20)21)14(15,16)17/h6-9H,3-5H2,1-2H3
InChIKeyTYQAWGXFFCWHDW-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.77
Rot. Bonds4

About 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one

6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72886307) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID72886307
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cnn(CCCn2c(C)cc(C(F)(F)F)cc2=O)c1
InChIInChI=1S/C14H16F3N3O/c1-10-8-18-19(9-10)4-3-5-20-11(2)6-12(7-13(20)21)14(15,16)17/h6-9H,3-5H2,1-2H3
InChIKeyTYQAWGXFFCWHDW-UHFFFAOYSA-N
XLogP2.77
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one (CID 72886307) is 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one is Cc1cnn(CCCn2c(C)cc(C(F)(F)F)cc2=O)c1.
What is the InChIKey of 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is TYQAWGXFFCWHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10-8-18-19(9-10)4-3-5-20-11(2)6-12(7-13(20)21)14(15,16)17/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one?
6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72886307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).