2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one

C13H11FN4O — CID 54402324

IUPAC2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one
SMILESO=c1cc(Cn2ccnc2)[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN4O/c14-10-1-3-12(4-2-10)18-13(19)7-11(16-18)8-17-6-5-15-9-17/h1-7,9,16H,8H2
InChIKeyVOHMNBLWDMLONC-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.55
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one

2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one (PubChem CID 54402324) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one
PubChem CID54402324
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one
SMILESO=c1cc(Cn2ccnc2)[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN4O/c14-10-1-3-12(4-2-10)18-13(19)7-11(16-18)8-17-6-5-15-9-17/h1-7,9,16H,8H2
InChIKeyVOHMNBLWDMLONC-UHFFFAOYSA-N
XLogP1.55
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
CID 3107634
3-imidazol-1-yl-N-phenylbutanamide
CID 4876350
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3616605
(4Z)-4-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
CID 3127110
N-(4-fluorophenyl)-2-[2-(methylthio)-1H-imidazol-1-yl]acetamide
CID 685436
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 9262732
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 16304651
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-propylimidazol-2-yl)sulfanylpropanamide
CID 16312522
(4E)-4-[(3-imidazol-1-ylpropylamino)methylidene]-2-(4-nitrophenyl)-5-propylpyrazol-3-one
CID 3607466
1-(4-fluorophenyl)-1H-imidazole-5-carbohydrazide
CID 5092120
2-imidazol-1-yl-N-(4-iodophenyl)acetamide
CID 41673442
4'-Fluoro-1-imidazolecarboxanilide
CID 3028800

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one (CID 54402324) is 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one is O=c1cc(Cn2ccnc2)[nH]n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one?
The InChIKey is VOHMNBLWDMLONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-10-1-3-12(4-2-10)18-13(19)7-11(16-18)8-17-6-5-15-9-17/h1-7,9,16H,8H2.
What are the key properties of 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one?
2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one has a molecular weight of 258.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 54402324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).