[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C17H16F3N3O2 — CID 45179983

IUPAC[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-5-1-3-11(7-14)15(24)12-4-2-6-23(10-12)16(25)13-8-21-22-9-13/h1,3,5,7-9,12H,2,4,6,10H2,(H,21,22)
InChIKeyVKAPSZUUWWTUSA-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.16
Rot. Bonds3

About [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 45179983) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID45179983
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)14-5-1-3-11(7-14)15(24)12-4-2-6-23(10-12)16(25)13-8-21-22-9-13/h1,3,5,7-9,12H,2,4,6,10H2,(H,21,22)
InChIKeyVKAPSZUUWWTUSA-UHFFFAOYSA-N
XLogP3.16
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
CID 44629407
[1-[(1-Propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57399514
2-fluoro-N-methyl-5-[(5-oxo-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 124221394
2-fluoro-5-[(5-oxo-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 124221409
N-[1-[2-fluoro-5-[(5-oxo-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124221428
{1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 16187787
{1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}[4-(trifluoromethyl)phenyl]methanone
CID 16190563
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56879396
{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 45197757
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(1H-pyrazol-4-yl)prop-2-enamide
CID 52915265
3-(4-fluorophenyl)-N-[(1-methyl-2-oxo-1,2,3,4,5,6-hexahydro-4aH-cyclopenta[b]pyridin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 91909528
3-[2-(2,4-difluorophenyl)ethyl]-1-(1H-pyrazol-4-ylcarbonyl)piperidine
CID 45235080

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 45179983) is [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)C1CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VKAPSZUUWWTUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)14-5-1-3-11(7-14)15(24)12-4-2-6-23(10-12)16(25)13-8-21-22-9-13/h1,3,5,7-9,12H,2,4,6,10H2,(H,21,22).
What are the key properties of [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 351.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45179983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).