2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol

C13H16FN3O — CID 103571528

IUPAC2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
SMILESCCCn1cc(CNc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C13H16FN3O/c1-2-5-17-9-10(8-16-17)7-15-11-3-4-13(18)12(14)6-11/h3-4,6,8-9,15,18H,2,5,7H2,1H3
InChIKeyVFNRUYKMCVASDX-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.75
Rot. Bonds5

About 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol

2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol (PubChem CID 103571528) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
PubChem CID103571528
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol
SMILESCCCn1cc(CNc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C13H16FN3O/c1-2-5-17-9-10(8-16-17)7-15-11-3-4-13(18)12(14)6-11/h3-4,6,8-9,15,18H,2,5,7H2,1H3
InChIKeyVFNRUYKMCVASDX-UHFFFAOYSA-N
XLogP2.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
2,3,4-trifluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571325
4-chloro-2-fluoro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571404
4-methyl-3-methylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 75518391
1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
CID 103571457
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
4-nitro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571418
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
2-fluoro-4-(propylamino)phenol
CID 64780527
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol (CID 103571528) is 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol is CCCn1cc(CNc2ccc(O)c(F)c2)cn1.
What is the InChIKey of 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol?
The InChIKey is VFNRUYKMCVASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-5-17-9-10(8-16-17)7-15-11-3-4-13(18)12(14)6-11/h3-4,6,8-9,15,18H,2,5,7H2,1H3.
What are the key properties of 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol?
2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol has a molecular weight of 249.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1-propylpyrazol-4-yl)methylamino]phenol is sourced from PubChem (CID 103571528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).