2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one

C11H12FN3O2 — CID 58621506

IUPAC2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
SMILESCOc1ccc(-n2[nH]c(C)cc2=O)nc1CF
InChIInChI=1S/C11H12FN3O2/c1-7-5-11(16)15(14-7)10-4-3-9(17-2)8(6-12)13-10/h3-5,14H,6H2,1-2H3
InChIKeyRMVVGCJAUGVLGT-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.35
Rot. Bonds3

About 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one

2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 58621506) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
PubChem CID58621506
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
SMILESCOc1ccc(-n2[nH]c(C)cc2=O)nc1CF
InChIInChI=1S/C11H12FN3O2/c1-7-5-11(16)15(14-7)10-4-3-9(17-2)8(6-12)13-10/h3-5,14H,6H2,1-2H3
InChIKeyRMVVGCJAUGVLGT-UHFFFAOYSA-N
XLogP1.35
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one (CID 58621506) is 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one is COc1ccc(-n2[nH]c(C)cc2=O)nc1CF.
What is the InChIKey of 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is RMVVGCJAUGVLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-7-5-11(16)15(14-7)10-4-3-9(17-2)8(6-12)13-10/h3-5,14H,6H2,1-2H3.
What are the key properties of 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one?
2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 237.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-5-methoxy-2-pyridinyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 58621506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).