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

C11H12FN3O — CID 83889917

IUPAC2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCNCc1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3O/c1-13-7-9-6-11(16)15(14-9)10-4-2-3-8(12)5-10/h2-6,13-14H,7H2,1H3
InChIKeyFKRWYIVZIHIYCH-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.02
Rot. Bonds3

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

2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one (PubChem CID 83889917) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
PubChem CID83889917
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
SMILESCNCc1cc(=O)n(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3O/c1-13-7-9-6-11(16)15(14-9)10-4-2-3-8(12)5-10/h2-6,13-14H,7H2,1H3
InChIKeyFKRWYIVZIHIYCH-UHFFFAOYSA-N
XLogP1.02
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 83887554
2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66020883
2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde
CID 83882653
2-(3-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 66023133
2-(3-fluorophenyl)-5-hydroxy-6-(methylaminomethyl)pyridazin-3-one
CID 82421915
2-(3-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
CID 105492392
2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83195525
(3S)-3-[[2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71451692
1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 78987307
2-(3-fluorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021501
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995167

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one (CID 83889917) is 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one is CNCc1cc(=O)n(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one?
The InChIKey is FKRWYIVZIHIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-13-7-9-6-11(16)15(14-9)10-4-2-3-8(12)5-10/h2-6,13-14H,7H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one?
2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one has a molecular weight of 221.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83889917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).