5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one

C5H7FN2O — CID 140974383

IUPAC5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(CF)[nH][nH]c1=O
InChIInChI=1S/C5H7FN2O/c1-3-4(2-6)7-8-5(3)9/h2H2,1H3,(H2,7,8,9)
InChIKeyDYCPBKBOCQYWGH-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.48
Rot. Bonds1

About 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one

5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one (PubChem CID 140974383) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one
PubChem CID140974383
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(CF)[nH][nH]c1=O
InChIInChI=1S/C5H7FN2O/c1-3-4(2-6)7-8-5(3)9/h2H2,1H3,(H2,7,8,9)
InChIKeyDYCPBKBOCQYWGH-UHFFFAOYSA-N
XLogP0.48
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one (CID 140974383) is 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one is Cc1c(CF)[nH][nH]c1=O.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is DYCPBKBOCQYWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-3-4(2-6)7-8-5(3)9/h2H2,1H3,(H2,7,8,9).
What are the key properties of 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one?
5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 130.12 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 140974383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).