3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate

C16H9F3N3O2- — CID 7797396

IUPAC3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)11-4-1-5-12(7-11)22-14(15(23)24)8-13(21-22)10-3-2-6-20-9-10/h1-9H,(H,23,24)/p-1
InChIKeyIRPIGRIVLMLCIQ-UHFFFAOYSA-M
MW332.26 g/mol
LogP2.32
Rot. Bonds3

About 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate

3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate (PubChem CID 7797396) has the molecular formula C16H9F3N3O2- and a molecular weight of 332.26 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
PubChem CID7797396
Molecular FormulaC16H9F3N3O2-
Molecular Weight332.26 g/mol
Exact Mass332.07
IUPAC Name3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)11-4-1-5-12(7-11)22-14(15(23)24)8-13(21-22)10-3-2-6-20-9-10/h1-9H,(H,23,24)/p-1
InChIKeyIRPIGRIVLMLCIQ-UHFFFAOYSA-M
XLogP2.32
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 4225085
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3632123
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3341823
2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 154270793
[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4240570
benzene-1,3-dicarboxylic acid;1-phenyl-3-pyridin-3-ylpyrazol-5-amine
CID 174704828
ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 46743357
1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
CID 154461404
N-[(1R)-1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]pyridine-3-carboxamide
CID 30766061
N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
CID 46224452

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate?
The IUPAC name of 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate (CID 7797396) is 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate.
What is the SMILES notation for 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate?
The canonical SMILES for 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate is O=C([O-])c1cc(-c2cccnc2)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate?
The InChIKey is IRPIGRIVLMLCIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)11-4-1-5-12(7-11)22-14(15(23)24)8-13(21-22)10-3-2-6-20-9-10/h1-9H,(H,23,24)/p-1.
What are the key properties of 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate?
3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate has a molecular weight of 332.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate is sourced from PubChem (CID 7797396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).