6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C18H15F3N4O2 — CID 58836139

IUPAC6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C18H15F3N4O2/c1-17(2,14-8-4-6-11(23-14)16(26)27)13-7-3-5-10(22-13)12-9-15(25-24-12)18(19,20)21/h3-9H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQBMGEDGSEWPSRZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.91
Rot. Bonds4

About 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 58836139) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID58836139
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2cc(C(F)(F)F)[nH]n2)n1
InChIInChI=1S/C18H15F3N4O2/c1-17(2,14-8-4-6-11(23-14)16(26)27)13-7-3-5-10(22-13)12-9-15(25-24-12)18(19,20)21/h3-9H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQBMGEDGSEWPSRZ-UHFFFAOYSA-N
XLogP3.91
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 23070158
2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 57937093
6-[2-[6-[3-(Trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;ZINC
CID 58836138
Platinum;6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59645844
3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 59797192
6-(1-{[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)pyridine-2-carboxylic acid
CID 66686823
6-[1-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 67777955
3-[2-(3-fluorophenyl)ethenyl]-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 68931806
6-[1-[2-[3,5-Bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-3-ethylpyridine-2-carboxylic acid
CID 89483398
6-[3-(Trifluoromethyl)-1H-pyrazole-5-yl]-2,2'-bipyridine-4,4'-dicarboxylic acid
CID 89761964
6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylic acid
CID 117624281
6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid
CID 118173124

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 58836139) is 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2cc(C(F)(F)F)[nH]n2)n1.
What is the InChIKey of 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is QBMGEDGSEWPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-17(2,14-8-4-6-11(23-14)16(26)27)13-7-3-5-10(22-13)12-9-15(25-24-12)18(19,20)21/h3-9H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 376.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58836139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).