4-fluoro-3-methyl-1,4-dihydropyrazol-5-one

C4H5FN2O — CID 73176751

IUPAC4-fluoro-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1F
InChIInChI=1S/C4H5FN2O/c1-2-3(5)4(8)7-6-2/h3H,1H3,(H,7,8)
InChIKeyYFFIRKPGKOLFLE-UHFFFAOYSA-N
MW116.09 g/mol
LogP-0.17
Rot. Bonds

About 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one

4-fluoro-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 73176751) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID73176751
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name4-fluoro-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1F
InChIInChI=1S/C4H5FN2O/c1-2-3(5)4(8)7-6-2/h3H,1H3,(H,7,8)
InChIKeyYFFIRKPGKOLFLE-UHFFFAOYSA-N
XLogP-0.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one (CID 73176751) is 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1F.
What is the InChIKey of 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is YFFIRKPGKOLFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c1-2-3(5)4(8)7-6-2/h3H,1H3,(H,7,8).
What are the key properties of 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one?
4-fluoro-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 116.09 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 73176751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).