1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C18H18F3N3O4 — CID 22293779

IUPAC1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCOC(=O)CCn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCN(C(=O)O)C2
InChIInChI=1S/C18H18F3N3O4/c1-28-15(25)7-9-24-14-6-8-23(17(26)27)10-13(14)16(22-24)11-2-4-12(5-3-11)18(19,20)21/h2-5H,6-10H2,1H3,(H,26,27)
InChIKeyVPWJYKJTIYHUDC-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 22293779) has the molecular formula C18H18F3N3O4 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID22293779
Molecular FormulaC18H18F3N3O4
Molecular Weight397.35 g/mol
Exact Mass397.12
IUPAC Name1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCOC(=O)CCn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCN(C(=O)O)C2
InChIInChI=1S/C18H18F3N3O4/c1-28-15(25)7-9-24-14-6-8-23(17(26)27)10-13(14)16(22-24)11-2-4-12(5-3-11)18(19,20)21/h2-5H,6-10H2,1H3,(H,26,27)
InChIKeyVPWJYKJTIYHUDC-UHFFFAOYSA-N
XLogP3.17
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145972824
4-[[5-acetyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]methyl]benzonitrile
CID 71532928
1-[1-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532979
1-[3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532980
1-[3-(4-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532981
1-[3-(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533025
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533187
1-[1-(2,4-Difluoro-benzyl)-3-(4-fluoro-phenyl)-6-methyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 71533616
Tert-butyl 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155520602
1-[1-[(2,4-difluorophenyl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533126
1-[1-[(2,4-difluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533127
2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 72127046

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 22293779) is 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is COC(=O)CCn1nc(-c2ccc(C(F)(F)F)cc2)c2c1CCN(C(=O)O)C2.
What is the InChIKey of 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is VPWJYKJTIYHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4/c1-28-15(25)7-9-24-14-6-8-23(17(26)27)10-13(14)16(22-24)11-2-4-12(5-3-11)18(19,20)21/h2-5H,6-10H2,1H3,(H,26,27).
What are the key properties of 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 397.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 22293779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).