3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid

C12H10F3N3O2 — CID 16794101

IUPAC3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(=O)O
InChIInChI=1S/C12H10F3N3O2/c1-6-10(11(19)20)7(2)18(17-6)9-4-3-8(5-16-9)12(13,14)15/h3-5H,1-2H3,(H,19,20)
InChIKeyZQEAVIKZFRQQLO-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.60
Rot. Bonds2

About 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid

3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 16794101) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID16794101
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(=O)O
InChIInChI=1S/C12H10F3N3O2/c1-6-10(11(19)20)7(2)18(17-6)9-4-3-8(5-16-9)12(13,14)15/h3-5H,1-2H3,(H,19,20)
InChIKeyZQEAVIKZFRQQLO-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 8027170
1-[6-[3-(Dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157010569
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 16787723
3-Methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
CID 9551715

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid (CID 16794101) is 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid is Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is ZQEAVIKZFRQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-6-10(11(19)20)7(2)18(17-6)9-4-3-8(5-16-9)12(13,14)15/h3-5H,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 285.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 16794101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).