5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole

C10H7ClFN3O2 — CID 175582721

IUPAC5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
SMILESCn1ncc(-c2cc([N+](=O)[O-])ccc2F)c1Cl
InChIInChI=1S/C10H7ClFN3O2/c1-14-10(11)8(5-13-14)7-4-6(15(16)17)2-3-9(7)12/h2-5H,1H3
InChIKeyMLMRCMPCJJFNGX-UHFFFAOYSA-N
MW255.64 g/mol
LogP2.79
Rot. Bonds2

About 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole

5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole (PubChem CID 175582721) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
PubChem CID175582721
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
SMILESCn1ncc(-c2cc([N+](=O)[O-])ccc2F)c1Cl
InChIInChI=1S/C10H7ClFN3O2/c1-14-10(11)8(5-13-14)7-4-6(15(16)17)2-3-9(7)12/h2-5H,1H3
InChIKeyMLMRCMPCJJFNGX-UHFFFAOYSA-N
XLogP2.79
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 52.79
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

2-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
1-fluoro-2-(2-methylsulfanylphenyl)-4-nitrobenzene
CID 22285277
2-(5-chloro-2-fluorophenyl)-5-nitrobenzonitrile
CID 171663264
5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
CID 90026137
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
CID 131866966
1-chloro-4-nitrobenzene;ethane
CID 90737802
2-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-6-nitroindole
CID 175965406
5-(2-fluoro-5-nitrophenyl)-3,4-diimino-1-methylpyridin-2-one
CID 134512278
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
CID 68515325
4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
CID 66714730

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole?
The IUPAC name of 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole (CID 175582721) is 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole.
What is the SMILES notation for 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole?
The canonical SMILES for 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole is Cn1ncc(-c2cc([N+](=O)[O-])ccc2F)c1Cl.
What is the InChIKey of 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole?
The InChIKey is MLMRCMPCJJFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c1-14-10(11)8(5-13-14)7-4-6(15(16)17)2-3-9(7)12/h2-5H,1H3.
What are the key properties of 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole?
5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole has a molecular weight of 255.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole is sourced from PubChem (CID 175582721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).