1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C10H5F4N3O2 — CID 58374114

IUPAC1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cn2)c1C(F)(F)F
InChIInChI=1S/C10H5F4N3O2/c11-5-1-2-7(15-3-5)17-8(10(12,13)14)6(4-16-17)9(18)19/h1-4H,(H,18,19)
InChIKeyWRKCJNSOTVTBTH-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.12
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 58374114) has the molecular formula C10H5F4N3O2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID58374114
Molecular FormulaC10H5F4N3O2
Molecular Weight275.16 g/mol
Exact Mass275.03
IUPAC Name1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccc(F)cn2)c1C(F)(F)F
InChIInChI=1S/C10H5F4N3O2/c11-5-1-2-7(15-3-5)17-8(10(12,13)14)6(4-16-17)9(18)19/h1-4H,(H,18,19)
InChIKeyWRKCJNSOTVTBTH-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128
2-(5-methyl-4-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90204980

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 58374114) is 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccc(F)cn2)c1C(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is WRKCJNSOTVTBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N3O2/c11-5-1-2-7(15-3-5)17-8(10(12,13)14)6(4-16-17)9(18)19/h1-4H,(H,18,19).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 275.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 58374114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).