5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one

C5H7FN2O — CID 18784503

IUPAC5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(CF)cc1=O
InChIInChI=1S/C5H7FN2O/c1-8-5(9)2-4(3-6)7-8/h2,7H,3H2,1H3
InChIKeyZBPVYHRKLMQMME-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.18
Rot. Bonds1

About 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one

5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one (PubChem CID 18784503) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one
PubChem CID18784503
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(CF)cc1=O
InChIInChI=1S/C5H7FN2O/c1-8-5(9)2-4(3-6)7-8/h2,7H,3H2,1H3
InChIKeyZBPVYHRKLMQMME-UHFFFAOYSA-N
XLogP0.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(fluoromethyl)-2-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 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one (CID 18784503) is 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(CF)cc1=O.
What is the InChIKey of 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is ZBPVYHRKLMQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-8-5(9)2-4(3-6)7-8/h2,7H,3H2,1H3.
What are the key properties of 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one?
5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 130.12 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 18784503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).