2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one

C10H9FN2O — CID 90799273

IUPAC2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one
SMILESO=c1ccn(Cc2ccccc2F)[nH]1
InChIInChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)
InChIKeyQQHWBVAOHUTAMH-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.36
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one

2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one (PubChem CID 90799273) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one
PubChem CID90799273
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one
SMILESO=c1ccn(Cc2ccccc2F)[nH]1
InChIInChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)
InChIKeyQQHWBVAOHUTAMH-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

3-(4-fluorophenyl)-1H-pyrazol-5-ol
CID 1202215
1-butyl-3-phenyl-1H-pyrazol-5-ol
CID 2113959
1-Benzylpyrazolidin-3-one
CID 4637348
1-Benzyl-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 683539
1-(2-Benzyl-2,2-dimethyl-2lambda~5~-diazen-1-yl)ethan-1-one--hydrogen chloride (1/1)
CID 204218
1-Benzyl-1H-pyrazol-3(2H)-one
CID 12199811
1-methyl-3-phenyl-1H-pyrazol-5-ol
CID 2763504
4-(2-aminoethyl)-5-(4-fluorophenyl)-1,2-dihydro-3H-pyrazol-3-one
CID 4715336
4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one
CID 10176462
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one (CID 90799273) is 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one is O=c1ccn(Cc2ccccc2F)[nH]1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one?
The InChIKey is QQHWBVAOHUTAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14).
What are the key properties of 2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-one?
2-[(2-fluorophenyl)methyl]-1H-pyrazol-5-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-5-one is sourced from PubChem (CID 90799273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).