3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C16H18F3N5O2 — CID 126943435

IUPAC3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1nccc1C(=O)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C16H18F3N5O2/c1-22-12(2-5-21-22)15(26)23-6-3-11(4-7-23)9-24-10-20-13(8-14(24)25)16(17,18)19/h2,5,8,10-11H,3-4,6-7,9H2,1H3
InChIKeyOENOYZUDDCHPLA-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.55
Rot. Bonds3

About 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943435) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943435
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1nccc1C(=O)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C16H18F3N5O2/c1-22-12(2-5-21-22)15(26)23-6-3-11(4-7-23)9-24-10-20-13(8-14(24)25)16(17,18)19/h2,5,8,10-11H,3-4,6-7,9H2,1H3
InChIKeyOENOYZUDDCHPLA-UHFFFAOYSA-N
XLogP1.55
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137129858
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
4-ethyl-5-({1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56875666
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597
(2-Ethylpyrazol-3-yl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150889
"N-{2-[4-(2-methoxyethyl)piperidino]-2-oxoethyl}-N,1-dimethyl-1H-pyrazole-5-carboxamide"
CID 53151093

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943435) is 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is Cn1nccc1C(=O)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is OENOYZUDDCHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-22-12(2-5-21-22)15(26)23-6-3-11(4-7-23)9-24-10-20-13(8-14(24)25)16(17,18)19/h2,5,8,10-11H,3-4,6-7,9H2,1H3.
What are the key properties of 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 369.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).