4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol

C13H16FN3O — CID 103851784

IUPAC4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
SMILESCc1nn(C)cc1CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H16FN3O/c1-9-11(8-17(2)16-9)7-15-6-10-3-4-13(18)12(14)5-10/h3-5,8,15,18H,6-7H2,1-2H3
InChIKeyHJMLMCSUZRZSOA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.86
Rot. Bonds4

About 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol

4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol (PubChem CID 103851784) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
PubChem CID103851784
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
SMILESCc1nn(C)cc1CNCc1ccc(O)c(F)c1
InChIInChI=1S/C13H16FN3O/c1-9-11(8-17(2)16-9)7-15-6-10-3-4-13(18)12(14)5-10/h3-5,8,15,18H,6-7H2,1-2H3
InChIKeyHJMLMCSUZRZSOA-UHFFFAOYSA-N
XLogP1.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol 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-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112668482
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 112705335
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112549217
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668473
3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-fluorobenzonitrile
CID 112705360
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol (CID 103851784) is 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol is Cc1nn(C)cc1CNCc1ccc(O)c(F)c1.
What is the InChIKey of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol?
The InChIKey is HJMLMCSUZRZSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9-11(8-17(2)16-9)7-15-6-10-3-4-13(18)12(14)5-10/h3-5,8,15,18H,6-7H2,1-2H3.
What are the key properties of 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol?
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol has a molecular weight of 249.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol is sourced from PubChem (CID 103851784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).