1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate

C9H5F3N3O- — CID 22090459

IUPAC1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
SMILES[O-]c1cc(C(F)(F)F)nn1-c1ccccn1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-5-8(16)15(14-6)7-3-1-2-4-13-7/h1-5,16H/p-1
InChIKeySKGHNISRZVYXQP-UHFFFAOYSA-M
MW228.15 g/mol
LogP1.36
Rot. Bonds1

About 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate

1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate (PubChem CID 22090459) has the molecular formula C9H5F3N3O- and a molecular weight of 228.15 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
PubChem CID22090459
Molecular FormulaC9H5F3N3O-
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC Name1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate
SMILES[O-]c1cc(C(F)(F)F)nn1-c1ccccn1
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)6-5-8(16)15(14-6)7-3-1-2-4-13-7/h1-5,16H/p-1
InChIKeySKGHNISRZVYXQP-UHFFFAOYSA-M
XLogP1.36
TPSA53.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675317
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
3-tert-butyl-1-pyridin-2-ylpyrazole-5-carbonitrile
CID 58093568
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
CID 102581187
3-tert-butyl-1-pyridin-2-ylpyrazole-5-sulfonyl chloride
CID 55071052
2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 66436390
1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl chloride
CID 18446928
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
CID 137413391

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?
The IUPAC name of 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate (CID 22090459) is 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate.
What is the SMILES notation for 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?
The canonical SMILES for 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate is [O-]c1cc(C(F)(F)F)nn1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?
The InChIKey is SKGHNISRZVYXQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)6-5-8(16)15(14-6)7-3-1-2-4-13-7/h1-5,16H/p-1.
What are the key properties of 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate?
1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate has a molecular weight of 228.15 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(trifluoromethyl)pyrazol-5-olate is sourced from PubChem (CID 22090459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).