6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C13H8F3N5O4 — CID 90011212

IUPAC6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)oc1=O
InChIInChI=1S/C13H8F3N5O4/c1-20-12(24)25-10(19-20)7-4-8(13(14,15)16)21(18-7)9-3-2-6(5-17-9)11(22)23/h2-5H,1H3,(H,22,23)
InChIKeyOBLHHHSQKGSCKL-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.34
Rot. Bonds3

About 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 90011212) has the molecular formula C13H8F3N5O4 and a molecular weight of 355.23 g/mol. Its IUPAC name is 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID90011212
Molecular FormulaC13H8F3N5O4
Molecular Weight355.23 g/mol
Exact Mass355.05
IUPAC Name6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)oc1=O
InChIInChI=1S/C13H8F3N5O4/c1-20-12(24)25-10(19-20)7-4-8(13(14,15)16)21(18-7)9-3-2-6(5-17-9)11(22)23/h2-5H,1H3,(H,22,23)
InChIKeyOBLHHHSQKGSCKL-UHFFFAOYSA-N
XLogP1.34
TPSA116.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 16787723
6-[8-[[1-Tert-butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]pyridine-3-carboxylic acid
CID 86766043
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
methyl 6-(1H-pyrazol-1-yl)nicotinate
CID 3741563
5-methyl-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 16227845
5-(trifluoromethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid
CID 17485406
1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 19624583
5-Ethyl-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid
CID 25313256
2-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 25323911
Methyl 6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylate;hydrochloride
CID 139220123

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 90011212) is 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)oc1=O.
What is the InChIKey of 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is OBLHHHSQKGSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O4/c1-20-12(24)25-10(19-20)7-4-8(13(14,15)16)21(18-7)9-3-2-6(5-17-9)11(22)23/h2-5H,1H3,(H,22,23).
What are the key properties of 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?
6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 90011212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).