1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole

C11H10FN3O2 — CID 103594399

IUPAC1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole
SMILESCc1ccn(-c2cc(C)c(F)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10FN3O2/c1-7-5-10(14-4-3-8(2)13-14)11(15(16)17)6-9(7)12/h3-6H,1-2H3
InChIKeyRNDQPWKWKYWJEL-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.54
Rot. Bonds2

About 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole

1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole (PubChem CID 103594399) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole
PubChem CID103594399
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole
SMILESCc1ccn(-c2cc(C)c(F)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10FN3O2/c1-7-5-10(14-4-3-8(2)13-14)11(15(16)17)6-9(7)12/h3-6H,1-2H3
InChIKeyRNDQPWKWKYWJEL-UHFFFAOYSA-N
XLogP2.54
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.54
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-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
CID 103594395
1-(4,5-dimethyl-2-nitrophenyl)pyrazole-3-carboxylic acid
CID 62098951
4-methyl-2-(3-methylpyrazol-1-yl)-5-nitropyridine
CID 79175720
3-methyl-1-(3-methylsulfanyl-4-nitrophenyl)pyrazole
CID 134507873
1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
CID 103080568
6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 103594391
1-(3-fluoronaphthalen-2-yl)-3-methylpyrazole
CID 141036229
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
(3R)-1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperazine
CID 103594274
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133375415
2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
CID 114089660

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole?
The IUPAC name of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole (CID 103594399) is 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole.
What is the SMILES notation for 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole?
The canonical SMILES for 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole is Cc1ccn(-c2cc(C)c(F)cc2[N+](=O)[O-])n1.
What is the InChIKey of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole?
The InChIKey is RNDQPWKWKYWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-7-5-10(14-4-3-8(2)13-14)11(15(16)17)6-9(7)12/h3-6H,1-2H3.
What are the key properties of 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole?
1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole has a molecular weight of 235.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpyrazole is sourced from PubChem (CID 103594399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).