3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C16H20F3N5O — CID 126943654

IUPAC3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1cc(CN2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)n[nH]1
InChIInChI=1S/C16H20F3N5O/c1-11-6-13(22-21-11)9-23-4-2-12(3-5-23)8-24-10-20-14(7-15(24)25)16(17,18)19/h6-7,10,12H,2-5,8-9H2,1H3,(H,21,22)
InChIKeyQMBCRNHLDWJCGS-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.21
Rot. Bonds4

About 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943654) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943654
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1cc(CN2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)n[nH]1
InChIInChI=1S/C16H20F3N5O/c1-11-6-13(22-21-11)9-23-4-2-12(3-5-23)8-24-10-20-14(7-15(24)25)16(17,18)19/h6-7,10,12H,2-5,8-9H2,1H3,(H,21,22)
InChIKeyQMBCRNHLDWJCGS-UHFFFAOYSA-N
XLogP2.21
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2,3-dimethyl-7-[(3-methyl-1H-pyrazol-5-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50982665
6-{1-[(4-chloro-3-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl}-2-methylpyrimidin-4-ol
CID 136263362
4-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567667
4-[(3S)-1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567668
4-{1-[5-(Trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-3-YL}-6H,7H,8H-pyrrolo[1,2-A]pyrimidin-2-one
CID 110217912
3-{[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943403
3-{[1-(3-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943428
3-{[1-(3-cyclopropyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943432
3-{[1-(3-tert-butyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943433
3-{[1-({1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943647
3-({1-[(4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943648
6-(difluoromethyl)-3-{[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126943843

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943654) is 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is Cc1cc(CN2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)n[nH]1.
What is the InChIKey of 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is QMBCRNHLDWJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-11-6-13(22-21-11)9-23-4-2-12(3-5-23)8-24-10-20-14(7-15(24)25)16(17,18)19/h6-7,10,12H,2-5,8-9H2,1H3,(H,21,22).
What are the key properties of 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 355.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).