2-(3-fluorophenyl)-1H-pyrazol-5-one

C9H7FN2O — CID 54178318

IUPAC2-(3-fluorophenyl)-1H-pyrazol-5-one
SMILESO=c1ccn(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C9H7FN2O/c10-7-2-1-3-8(6-7)12-5-4-9(13)11-12/h1-6H,(H,11,13)
InChIKeyOZZQVNANBMRQCI-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.30
Rot. Bonds1

About 2-(3-fluorophenyl)-1H-pyrazol-5-one

2-(3-fluorophenyl)-1H-pyrazol-5-one (PubChem CID 54178318) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1H-pyrazol-5-one
PubChem CID54178318
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name2-(3-fluorophenyl)-1H-pyrazol-5-one
SMILESO=c1ccn(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C9H7FN2O/c10-7-2-1-3-8(6-7)12-5-4-9(13)11-12/h1-6H,(H,11,13)
InChIKeyOZZQVNANBMRQCI-UHFFFAOYSA-N
XLogP1.30
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-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

Related Compounds

1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde
CID 83882653
3-(3-fluorophenyl)-1H-imidazole-2-thione
CID 2737474
1-(3-fluorophenyl)-2,4-dihydro-1,2,4-triazin-3-one
CID 67898277
1-(3-fluorophenyl)pyrazolidin-3-one
CID 70478682
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
3-(3-fluorophenyl)-4-methyl-1H-imidazol-2-one
CID 81446269
2,3,9,10-tetrafluoro-6,13-bis(3-fluorophenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592280
2-(3-fluorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021501
1-(3-fluorophenyl)-4-propylpyrazine-2,3-dione
CID 163349855
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(3-fluorophenyl)-1H-pyrazol-5-one (CID 54178318) is 2-(3-fluorophenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(3-fluorophenyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(3-fluorophenyl)-1H-pyrazol-5-one is O=c1ccn(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-1H-pyrazol-5-one?
The InChIKey is OZZQVNANBMRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-2-1-3-8(6-7)12-5-4-9(13)11-12/h1-6H,(H,11,13).
What are the key properties of 2-(3-fluorophenyl)-1H-pyrazol-5-one?
2-(3-fluorophenyl)-1H-pyrazol-5-one has a molecular weight of 178.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 54178318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).