3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one

C10H9FN2O — CID 23237861

IUPAC3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)c(-c2ccccc2)c1F
InChIInChI=1S/C10H9FN2O/c1-13-9(11)8(10(14)12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14)
InChIKeyBISHMKAGDCFGNZ-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.52
Rot. Bonds1

About 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one

3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one (PubChem CID 23237861) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one
PubChem CID23237861
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)c(-c2ccccc2)c1F
InChIInChI=1S/C10H9FN2O/c1-13-9(11)8(10(14)12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14)
InChIKeyBISHMKAGDCFGNZ-UHFFFAOYSA-N
XLogP1.52
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-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 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one (CID 23237861) is 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one is Cn1[nH]c(=O)c(-c2ccccc2)c1F.
What is the InChIKey of 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one?
The InChIKey is BISHMKAGDCFGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13-9(11)8(10(14)12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14).
What are the key properties of 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one?
3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one has a molecular weight of 192.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 23237861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).