1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium

C10H9F3N3O+ — CID 90735532

IUPAC1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium
SMILESCc1ccc(-n2ccc(C(F)(F)F)n2)[n+](O)c1
InChIInChI=1S/C10H9F3N3O/c1-7-2-3-9(16(17)6-7)15-5-4-8(14-15)10(11,12)13/h2-6,17H,1H3/q+1
InChIKeyNFFWWFDKUUBYEC-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.72
Rot. Bonds1

About 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium

1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium (PubChem CID 90735532) has the molecular formula C10H9F3N3O+ and a molecular weight of 244.20 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium
PubChem CID90735532
Molecular FormulaC10H9F3N3O+
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium
SMILESCc1ccc(-n2ccc(C(F)(F)F)n2)[n+](O)c1
InChIInChI=1S/C10H9F3N3O/c1-7-2-3-9(16(17)6-7)15-5-4-8(14-15)10(11,12)13/h2-6,17H,1H3/q+1
InChIKeyNFFWWFDKUUBYEC-UHFFFAOYSA-N
XLogP1.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
CID 63372117
2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79072534
3-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 62120446
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
CID 79194874
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
2-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-ol
CID 174582215
1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 90985717
1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
CID 55241554

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium?
The IUPAC name of 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium (CID 90735532) is 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium.
What is the SMILES notation for 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium?
The canonical SMILES for 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium is Cc1ccc(-n2ccc(C(F)(F)F)n2)[n+](O)c1.
What is the InChIKey of 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium?
The InChIKey is NFFWWFDKUUBYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N3O/c1-7-2-3-9(16(17)6-7)15-5-4-8(14-15)10(11,12)13/h2-6,17H,1H3/q+1.
What are the key properties of 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium?
1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium has a molecular weight of 244.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-1-ium is sourced from PubChem (CID 90735532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).