3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C17H20F3N5O2 — CID 126943403

IUPAC3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H20F3N5O2/c1-10-15(11(2)23-22-10)16(27)24-5-3-12(4-6-24)8-25-9-21-13(7-14(25)26)17(18,19)20/h7,9,12H,3-6,8H2,1-2H3,(H,22,23)
InChIKeyUHRJKAPIKSABMA-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.15
Rot. Bonds3

About 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943403) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943403
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C17H20F3N5O2/c1-10-15(11(2)23-22-10)16(27)24-5-3-12(4-6-24)8-25-9-21-13(7-14(25)26)17(18,19)20/h7,9,12H,3-6,8H2,1-2H3,(H,22,23)
InChIKeyUHRJKAPIKSABMA-UHFFFAOYSA-N
XLogP2.15
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one with MolForge

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Related Compounds

3,5-dimethyl-N-[1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 136662642
3,5-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43603368
N-butyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876875
3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876956
3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959025
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61258553
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61259075
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65531642
5-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 92127935
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 115772356
(4,4-difluoropiperidin-1-yl)(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 119103499
1-(1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl)-4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one
CID 122268733

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943403) is 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is Cc1n[nH]c(C)c1C(=O)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UHRJKAPIKSABMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-10-15(11(2)23-22-10)16(27)24-5-3-12(4-6-24)8-25-9-21-13(7-14(25)26)17(18,19)20/h7,9,12H,3-6,8H2,1-2H3,(H,22,23).
What are the key properties of 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 383.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).