2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one

C10H9FN2O — CID 174976059

IUPAC2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1Cc1ccccc1F
InChIInChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-10(14)5-6-12-13/h1-6,12H,7H2
InChIKeyUBYGLUJQCYUTQM-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.36
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one

2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one (PubChem CID 174976059) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one
PubChem CID174976059
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1Cc1ccccc1F
InChIInChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-10(14)5-6-12-13/h1-6,12H,7H2
InChIKeyUBYGLUJQCYUTQM-UHFFFAOYSA-N
XLogP1.36
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-phenyl-1H-pyrazol-5-ol
CID 2113959
1-Benzyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 683539
3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile
CID 2054802
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874
1-Benzyl-1H-pyrazol-3(2H)-one
CID 12199811
1-methyl-3-phenyl-1H-pyrazol-5-ol
CID 2763504
N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 43616255
1-(2-fluorobenzyl)pyridin-2(1H)-one
CID 664770
N'-acetyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carbohydrazide
CID 30836930
1-benzyl-3-methyl-1H-pyrazol-5-ol
CID 2384263
1-benzyl-4-methyl-1H-pyrazol-3-ol
CID 3704386
3H-Pyrazol-3-one, 1,2-dihydro-1-methyl-5-phenyl-
CID 10844967

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one (CID 174976059) is 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one is O=c1cc[nH]n1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one?
The InChIKey is UBYGLUJQCYUTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-10(14)5-6-12-13/h1-6,12H,7H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one?
2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one has a molecular weight of 192.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-1H-pyrazol-3-one is sourced from PubChem (CID 174976059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).