2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine

C16H11F3N4O3 — CID 154177113

IUPAC2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C16H11F3N4O3/c1-26-15-7-2-10(9-20-15)13-8-14(16(17,18)19)21-22(13)11-3-5-12(6-4-11)23(24)25/h2-9H,1H3
InChIKeyHTWWXSCPADUHQE-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.87
Rot. Bonds4

About 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine

2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine (PubChem CID 154177113) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine
PubChem CID154177113
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC Name2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C16H11F3N4O3/c1-26-15-7-2-10(9-20-15)13-8-14(16(17,18)19)21-22(13)11-3-5-12(6-4-11)23(24)25/h2-9H,1H3
InChIKeyHTWWXSCPADUHQE-UHFFFAOYSA-N
XLogP3.87
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.87
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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Related Compounds

5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 10451628
4-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10201726
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
5-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 22086569
1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 10780621
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 21090959
5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
CID 154339032
1-(3-nitrophenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 23069975
5-(3-ethyl-4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 18338144
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
chloroimino-[4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-methyl-oxo-λ6-sulfane
CID 89290219
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The IUPAC name of 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine (CID 154177113) is 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The InChIKey is HTWWXSCPADUHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c1-26-15-7-2-10(9-20-15)13-8-14(16(17,18)19)21-22(13)11-3-5-12(6-4-11)23(24)25/h2-9H,1H3.
What are the key properties of 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine has a molecular weight of 364.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine is sourced from PubChem (CID 154177113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).