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

C10H9FN4O3 — CID 136942216

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

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

2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol (PubChem CID 136942216) 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)-4-fluoro-6-nitrophenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol
PubChem CID136942216
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol
SMILESCn1nc(-c2cc(F)cc([N+](=O)[O-])c2O)cc1N
InChIInChI=1S/C10H9FN4O3/c1-14-9(12)4-7(13-14)6-2-5(11)3-8(10(6)16)15(17)18/h2-4,16H,12H2,1H3
InChIKeySGYNSBNNXHBEEB-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

2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
CID 136942215
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
CID 117419260
2,4,6-trinitrobenzene-1,3-diol
CID 20534541
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
1-methyl-3-nitropyrazol-5-amine
CID 14614016
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
CID 173370701
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
CID 117306184
2-(2-amino-1,3-thiazol-4-yl)-4-methyl-6-nitrophenol
CID 4058328
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol (CID 136942216) is 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol is Cn1nc(-c2cc(F)cc([N+](=O)[O-])c2O)cc1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol?
The InChIKey is SGYNSBNNXHBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3/c1-14-9(12)4-7(13-14)6-2-5(11)3-8(10(6)16)15(17)18/h2-4,16H,12H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol?
2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-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)-4-fluoro-6-nitrophenol is sourced from PubChem (CID 136942216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).