1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole

C13H10FN5O2 — CID 132586316

IUPAC1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
SMILESCn1nccc1-c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C13H10FN5O2/c1-17-13(4-6-15-17)11-5-7-18(16-11)12-3-2-9(19(20)21)8-10(12)14/h2-8H,1H3
InChIKeyJAGSLYLJBZMTRW-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole

1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole (PubChem CID 132586316) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
PubChem CID132586316
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
SMILESCn1nccc1-c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C13H10FN5O2/c1-17-13(4-6-15-17)11-5-7-18(16-11)12-3-2-9(19(20)21)8-10(12)14/h2-8H,1H3
InChIKeyJAGSLYLJBZMTRW-UHFFFAOYSA-N
XLogP2.32
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole (CID 132586316) is 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole is Cn1nccc1-c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
The InChIKey is JAGSLYLJBZMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c1-17-13(4-6-15-17)11-5-7-18(16-11)12-3-2-9(19(20)21)8-10(12)14/h2-8H,1H3.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole has a molecular weight of 287.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-3-(2-methylpyrazol-3-yl)pyrazole is sourced from PubChem (CID 132586316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).