2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C13H10F3N3O2 — CID 62702724

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1-n1ccc(C(F)(F)F)n1)CCC2
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)10-4-5-19(18-10)11-8(12(20)21)6-7-2-1-3-9(7)17-11/h4-6H,1-3H2,(H,20,21)
InChIKeyJSJVUKFSWHLMFW-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.47
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62702724) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62702724
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1-n1ccc(C(F)(F)F)n1)CCC2
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)10-4-5-19(18-10)11-8(12(20)21)6-7-2-1-3-9(7)17-11/h4-6H,1-3H2,(H,20,21)
InChIKeyJSJVUKFSWHLMFW-UHFFFAOYSA-N
XLogP2.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62702724) is 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1-n1ccc(C(F)(F)F)n1)CCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is JSJVUKFSWHLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)10-4-5-19(18-10)11-8(12(20)21)6-7-2-1-3-9(7)17-11/h4-6H,1-3H2,(H,20,21).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 297.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62702724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).