2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol

C10H9FN4O3 — CID 136942215

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
SMILESCn1nc(-c2cc([N+](=O)[O-])cc(F)c2O)cc1N
InChIInChI=1S/C10H9FN4O3/c1-14-9(12)4-8(13-14)6-2-5(15(17)18)3-7(11)10(6)16/h2-4,16H,12H2,1H3
InChIKeyQIYBYPNYOYTMNP-UHFFFAOYSA-N
MW252.21 g/mol
LogP1.42
Rot. Bonds2

About 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol

2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol (PubChem CID 136942215) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
PubChem CID136942215
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
SMILESCn1nc(-c2cc([N+](=O)[O-])cc(F)c2O)cc1N
InChIInChI=1S/C10H9FN4O3/c1-14-9(12)4-8(13-14)6-2-5(15(17)18)3-7(11)10(6)16/h2-4,16H,12H2,1H3
InChIKeyQIYBYPNYOYTMNP-UHFFFAOYSA-N
XLogP1.42
TPSA107.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
CID 117419260
2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol
CID 136942216
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
7-(5-amino-1-methylpyrazol-3-yl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 137004842
1-methyl-3-nitropyrazol-5-amine
CID 14614016
2-(1-aminoethyl)-6-fluoro-4-nitrophenol
CID 117289050
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
2-[(1R)-1,2-diaminoethyl]-6-fluoro-4-nitrophenol
CID 66517594
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
CID 136963399

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol (CID 136942215) is 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol is Cn1nc(-c2cc([N+](=O)[O-])cc(F)c2O)cc1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol?
The InChIKey is QIYBYPNYOYTMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c1-14-9(12)4-8(13-14)6-2-5(15(17)18)3-7(11)10(6)16/h2-4,16H,12H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol?
2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol has a molecular weight of 252.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol is sourced from PubChem (CID 136942215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).