1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid

C12H9ClF3N3O2 — CID 43168599

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3N3O2/c1-2-9-7(11(20)21)5-18-19(9)10-8(13)3-6(4-17-10)12(14,15)16/h3-5H,2H2,1H3,(H,20,21)
InChIKeyUFWXKFOSFSEKOI-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.20
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid (PubChem CID 43168599) has the molecular formula C12H9ClF3N3O2 and a molecular weight of 319.67 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
PubChem CID43168599
Molecular FormulaC12H9ClF3N3O2
Molecular Weight319.67 g/mol
Exact Mass319.03
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9ClF3N3O2/c1-2-9-7(11(20)21)5-18-19(9)10-8(13)3-6(4-17-10)12(14,15)16/h3-5H,2H2,1H3,(H,20,21)
InChIKeyUFWXKFOSFSEKOI-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide
CID 13373127
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 69085891
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-yl] hydrogen carbonate
CID 139617802
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid (CID 43168599) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid?
The InChIKey is UFWXKFOSFSEKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2/c1-2-9-7(11(20)21)5-18-19(9)10-8(13)3-6(4-17-10)12(14,15)16/h3-5H,2H2,1H3,(H,20,21).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid has a molecular weight of 319.67 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43168599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).