4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole

C10H8FN3O2 — CID 176677462

IUPAC4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole
SMILESCc1ccc([N+](=O)[O-])cc1-n1cc(F)cn1
InChIInChI=1S/C10H8FN3O2/c1-7-2-3-9(14(15)16)4-10(7)13-6-8(11)5-12-13/h2-6H,1H3
InChIKeyTVJHEGYWBMUYTJ-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.23
Rot. Bonds2

About 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole

4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole (PubChem CID 176677462) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole
PubChem CID176677462
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole
SMILESCc1ccc([N+](=O)[O-])cc1-n1cc(F)cn1
InChIInChI=1S/C10H8FN3O2/c1-7-2-3-9(14(15)16)4-10(7)13-6-8(11)5-12-13/h2-6H,1H3
InChIKeyTVJHEGYWBMUYTJ-UHFFFAOYSA-N
XLogP2.23
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
4-fluoro-1-(3-nitrophenyl)pyrazole
CID 134957783
[3-methyl-1-(2-methyl-5-nitrophenyl)pyrazol-4-yl]methanamine
CID 84615052
N-[[1-(2-methyl-5-nitrophenyl)triazol-4-yl]methyl]propan-1-amine
CID 66206706
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
2-(4-chloropyrazol-1-yl)-5-nitrobenzaldehyde
CID 54909354
1-(2-methyl-5-nitrophenyl)azetidin-3-amine
CID 65249583
1-[2-(4-bromopyrazol-1-yl)-5-nitrophenyl]ethanone
CID 62873582
2-(2-methylphenyl)-6-nitroindazole
CID 620110
1-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 62589225
N-(5-fluoro-2-methylphenyl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 7585705
4-methyl-2-(4-nitropyrazol-1-yl)benzoic acid
CID 55107284

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole?
The IUPAC name of 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole (CID 176677462) is 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole.
What is the SMILES notation for 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole?
The canonical SMILES for 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole is Cc1ccc([N+](=O)[O-])cc1-n1cc(F)cn1.
What is the InChIKey of 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole?
The InChIKey is TVJHEGYWBMUYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-7-2-3-9(14(15)16)4-10(7)13-6-8(11)5-12-13/h2-6H,1H3.
What are the key properties of 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole?
4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole has a molecular weight of 221.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methyl-5-nitrophenyl)pyrazole is sourced from PubChem (CID 176677462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).