1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C10H5ClF3N3O2 — CID 50990496

IUPAC1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F
InChIInChI=1S/C10H5ClF3N3O2/c11-6-2-1-3-15-8(6)17-7(10(12,13)14)5(4-16-17)9(18)19/h1-4H,(H,18,19)
InChIKeyAAOQQWDQWALLNL-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.64
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 50990496) has the molecular formula C10H5ClF3N3O2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID50990496
Molecular FormulaC10H5ClF3N3O2
Molecular Weight291.62 g/mol
Exact Mass291.00
IUPAC Name1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F
InChIInChI=1S/C10H5ClF3N3O2/c11-6-2-1-3-15-8(6)17-7(10(12,13)14)5(4-16-17)9(18)19/h1-4H,(H,18,19)
InChIKeyAAOQQWDQWALLNL-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 8027170
1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 16787723
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128
2-(5-butyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90205218
2-(3-butyl-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90211018
3-Chloro-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 21107332
6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 16792904
5-(propan-2-yl)-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 25312759
1-[5-(3-Chlorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 44419139
1-[5-(2-Chlorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 44419140

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 50990496) is 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is AAOQQWDQWALLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O2/c11-6-2-1-3-15-8(6)17-7(10(12,13)14)5(4-16-17)9(18)19/h1-4H,(H,18,19).
What are the key properties of 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 291.62 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 50990496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).