2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C18H18F3N5O — CID 166207781

IUPAC2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)16-7-9-25(23-16)14-5-3-8-24(11-14)17(27)12-26-15-6-2-1-4-13(15)10-22-26/h1-2,4,6-7,9-10,14H,3,5,8,11-12H2
InChIKeyCLLBORIPZCLUCO-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.12
Rot. Bonds3

About 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 166207781) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID166207781
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)16-7-9-25(23-16)14-5-3-8-24(11-14)17(27)12-26-15-6-2-1-4-13(15)10-22-26/h1-2,4,6-7,9-10,14H,3,5,8,11-12H2
InChIKeyCLLBORIPZCLUCO-UHFFFAOYSA-N
XLogP3.12
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrazolo[1,5-a]pyridin-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166207792
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
(3-methyl-2,3-dihydro-1-benzofuran-2-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 86787087
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325110
2-[1-(4-fluorophenyl)pyrazol-3-yl]-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 146088301
2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166277855
N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 128818696
4-[[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020851
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726
3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 166207781) is 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is O=C(Cn1ncc2ccccc21)N1CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is CLLBORIPZCLUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)16-7-9-25(23-16)14-5-3-8-24(11-14)17(27)12-26-15-6-2-1-4-13(15)10-22-26/h1-2,4,6-7,9-10,14H,3,5,8,11-12H2.
What are the key properties of 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 377.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166207781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).