4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one

C11H11FN2O — CID 2730645

IUPAC4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)
InChIKeyCMQRGDDLJYEVDF-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.49
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one

4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 2730645) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID2730645
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15)
InChIKeyCMQRGDDLJYEVDF-UHFFFAOYSA-N
XLogP1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
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3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
3-Phenyl-5-pyrazolone
CID 78577
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
N'-(1-methyl-3-phenylpropylidene)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 6049016
N-[(E)-4-phenylbutan-2-ylideneamino]acetamide
CID 9640758
6-(4-Fluorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 605878
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CID 1471687

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one (CID 2730645) is 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is CMQRGDDLJYEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-10(11(15)14-13-7)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,14,15).
What are the key properties of 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one?
4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 206.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 2730645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).