1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid

C16H15F3N4O2 — CID 129097162

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(N3CC4CC4C3)nc2)nc1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)14-12(15(24)25)8-23(21-14)5-9-1-2-13(20-4-9)22-6-10-3-11(10)7-22/h1-2,4,8,10-11H,3,5-7H2,(H,24,25)
InChIKeyRGPIHRKUUGSNGQ-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.50
Rot. Bonds4

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 129097162) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID129097162
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(N3CC4CC4C3)nc2)nc1C(F)(F)F
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)14-12(15(24)25)8-23(21-14)5-9-1-2-13(20-4-9)22-6-10-3-11(10)7-22/h1-2,4,8,10-11H,3,5-7H2,(H,24,25)
InChIKeyRGPIHRKUUGSNGQ-UHFFFAOYSA-N
XLogP2.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid with MolForge

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Related Compounds

N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 126614088
1-[[6-[(1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129097296
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazole-4-carboxylic acid
CID 156826184
N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-1-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 121366277
4-[[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 19620746
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl] N-[(1-aminoisoquinolin-6-yl)methyl]carbamate
CID 129017374
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-cyanopyrazole-4-carboxylic acid
CID 156826427
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid
CID 159632492
[(3R)-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 141430929
3,5-dimethyl-4-(methylaminomethyl)aniline;1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 174778043
ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 129078747

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 129097162) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cn(Cc2ccc(N3CC4CC4C3)nc2)nc1C(F)(F)F.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is RGPIHRKUUGSNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)14-12(15(24)25)8-23(21-14)5-9-1-2-13(20-4-9)22-6-10-3-11(10)7-22/h1-2,4,8,10-11H,3,5-7H2,(H,24,25).
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 352.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 129097162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).