2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one

C11H12FN3O — CID 83889894

IUPAC2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
SMILESCNCc1cn(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C11H12FN3O/c1-13-6-8-7-15(14-11(8)16)10-5-3-2-4-9(10)12/h2-5,7,13H,6H2,1H3,(H,14,16)
InChIKeyBFMHRMLZLCVBQK-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one

2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one (PubChem CID 83889894) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
PubChem CID83889894
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
SMILESCNCc1cn(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C11H12FN3O/c1-13-6-8-7-15(14-11(8)16)10-5-3-2-4-9(10)12/h2-5,7,13H,6H2,1H3,(H,14,16)
InChIKeyBFMHRMLZLCVBQK-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 ≤ 500221.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylaminomethyl)-2-(2-methylphenyl)-1H-pyrazol-5-one
CID 83887677
2-[2-(2-fluorophenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
CID 83896960
2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83888737
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66441478
1-[2-(methylaminomethyl)phenyl]azepane-2,7-dione
CID 61350563
1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
CID 83882394
4-[3-fluoro-2-(methylaminomethyl)phenyl]piperazine-2,6-dione
CID 114065682
4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
CID 57420560
1-[2-[[3-(2,3-difluorophenyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]methyl]phenyl]-N-methylmethanamine
CID 24937510
4-(2-aminoethyl)-2-(4-fluorophenyl)-1H-pyrazol-5-one
CID 83889889
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469
1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
CID 166978041

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one (CID 83889894) is 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one is CNCc1cn(-c2ccccc2F)[nH]c1=O.
What is the InChIKey of 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
The InChIKey is BFMHRMLZLCVBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-13-6-8-7-15(14-11(8)16)10-5-3-2-4-9(10)12/h2-5,7,13H,6H2,1H3,(H,14,16).
What are the key properties of 2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one?
2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one has a molecular weight of 221.23 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-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 83889894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).