1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid

C11H8F3N3O3 — CID 139934902

IUPAC1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(Oc2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C11H8F3N3O3/c1-17-5-7(10(18)19)9(16-17)20-8-4-6(2-3-15-8)11(12,13)14/h2-5H,1H3,(H,18,19)
InChIKeyFHKVNYNAXRTBPW-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.32
Rot. Bonds3

About 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid

1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid (PubChem CID 139934902) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid
PubChem CID139934902
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(Oc2cc(C(F)(F)F)ccn2)n1
InChIInChI=1S/C11H8F3N3O3/c1-17-5-7(10(18)19)9(16-17)20-8-4-6(2-3-15-8)11(12,13)14/h2-5H,1H3,(H,18,19)
InChIKeyFHKVNYNAXRTBPW-UHFFFAOYSA-N
XLogP2.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81443299
methyl 2-[2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
CID 142566690
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[1-(2,2,2-trifluoroethyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazolo[5,4-d]pyrimidin-4-yl]carbamate
CID 162477355
ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
CID 139934938
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 154344368
[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate
CID 142667840
(1-methyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251475
3-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 66329437
[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 66328112
7-methoxy-1-methylpyrrolo[2,3-c]pyridine-3-carboxylic acid;1-methyl-4-(trifluoromethyl)benzene
CID 145315190
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid (CID 139934902) is 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(Oc2cc(C(F)(F)F)ccn2)n1.
What is the InChIKey of 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid?
The InChIKey is FHKVNYNAXRTBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-17-5-7(10(18)19)9(16-17)20-8-4-6(2-3-15-8)11(12,13)14/h2-5H,1H3,(H,18,19).
What are the key properties of 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid?
1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid has a molecular weight of 287.20 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrazole-4-carboxylic acid is sourced from PubChem (CID 139934902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).