3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline

C10H10FN3O2 — CID 126579799

IUPAC3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline
SMILESNc1cccc(F)c1COc1ccn(O)n1
InChIInChI=1S/C10H10FN3O2/c11-8-2-1-3-9(12)7(8)6-16-10-4-5-14(15)13-10/h1-5,15H,6,12H2
InChIKeyJCGMTHGCZSLNTO-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.42
Rot. Bonds3

About 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline

3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline (PubChem CID 126579799) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline
PubChem CID126579799
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline
SMILESNc1cccc(F)c1COc1ccn(O)n1
InChIInChI=1S/C10H10FN3O2/c11-8-2-1-3-9(12)7(8)6-16-10-4-5-14(15)13-10/h1-5,15H,6,12H2
InChIKeyJCGMTHGCZSLNTO-UHFFFAOYSA-N
XLogP1.42
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-difluorophenyl)methoxy]-1H-pyrazole
CID 89654490
5-[(2,5-difluorophenyl)methoxy]-1H-pyrazole
CID 89654540
3-(Fluoromethyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline
CID 126576181
3-(Fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline
CID 126576255
3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-N-methylaniline
CID 126579154
[3-Fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]phenyl] cyanate
CID 126579162
1-Hydroxy-3-[[2-nitro-6-(trifluoromethyl)phenyl]methoxy]pyrazole
CID 126579167
3-[[2-(Fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
CID 126579178
2-[(1-Hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethyl)aniline
CID 126579182
3-[[2-(Fluoromethyl)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
CID 126579312
1-Hydroxy-3-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyrazole
CID 126579314
3-(Difluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline
CID 126579329

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline?
The IUPAC name of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline (CID 126579799) is 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline.
What is the SMILES notation for 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline?
The canonical SMILES for 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline is Nc1cccc(F)c1COc1ccn(O)n1.
What is the InChIKey of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline?
The InChIKey is JCGMTHGCZSLNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-8-2-1-3-9(12)7(8)6-16-10-4-5-14(15)13-10/h1-5,15H,6,12H2.
What are the key properties of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline?
3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline has a molecular weight of 223.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]aniline is sourced from PubChem (CID 126579799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).