5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C15H13F2N3O3 — CID 82588865

IUPAC5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCc2c(c(C(=O)O)nn2-c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H13F2N3O3/c1-8(21)19-5-4-13-10(7-19)14(15(22)23)18-20(13)9-2-3-11(16)12(17)6-9/h2-3,6H,4-5,7H2,1H3,(H,22,23)
InChIKeyJWFDPJFXPHKFGO-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.75
Rot. Bonds2

About 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 82588865) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID82588865
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(=O)N1CCc2c(c(C(=O)O)nn2-c2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H13F2N3O3/c1-8(21)19-5-4-13-10(7-19)14(15(22)23)18-20(13)9-2-3-11(16)12(17)6-9/h2-3,6H,4-5,7H2,1H3,(H,22,23)
InChIKeyJWFDPJFXPHKFGO-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 16777598
5-acetyl-1-(4-methyl-2-nitrophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 110459215
1-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61287468
1-(4-fluoro-3-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812686
5-acetyl-1-(cyanomethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82588832
[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 75495869
5-(4-oxopiperidine-1-carbonyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 166279517
1-(4-chloro-3-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 61470330
[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 71920001
1-(3,4,5-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62812163
1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812164
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 82588865) is 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(=O)N1CCc2c(c(C(=O)O)nn2-c2ccc(F)c(F)c2)C1.
What is the InChIKey of 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is JWFDPJFXPHKFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-8(21)19-5-4-13-10(7-19)14(15(22)23)18-20(13)9-2-3-11(16)12(17)6-9/h2-3,6H,4-5,7H2,1H3,(H,22,23).
What are the key properties of 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 321.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 82588865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).