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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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).