2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one

C15H16F3N5O2 — CID 137129858

IUPAC2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(-n2ccc(C(=O)N3CCC(C(F)(F)F)CC3)n2)cc(=O)[nH]1
InChIInChI=1S/C15H16F3N5O2/c1-9-19-12(8-13(24)20-9)23-7-4-11(21-23)14(25)22-5-2-10(3-6-22)15(16,17)18/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,20,24)
InChIKeyAZEQBMXYRBELJQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.68
Rot. Bonds2

About 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137129858) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137129858
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(-n2ccc(C(=O)N3CCC(C(F)(F)F)CC3)n2)cc(=O)[nH]1
InChIInChI=1S/C15H16F3N5O2/c1-9-19-12(8-13(24)20-9)23-7-4-11(21-23)14(25)22-5-2-10(3-6-22)15(16,17)18/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,20,24)
InChIKeyAZEQBMXYRBELJQ-UHFFFAOYSA-N
XLogP1.68
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxamide
CID 137049042
4-methyl-2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049046
4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137129916
2-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049288
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
5-{1-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-3-piperidyl}-4-isopropyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 91914737
5-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201709
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56706392
[2-[(Z)-[4-[(3S)-3-aminopyrrolidin-1-yl]-5-methyl-1-(methylideneamino)pyrimidin-2-ylidene]methyl]piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrazol-3-yl]methanone
CID 121297277
1-[4-(Isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-(methylcarbamoylamino)pyrazole-3-carboxamide
CID 141642981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137129858) is 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1nc(-n2ccc(C(=O)N3CCC(C(F)(F)F)CC3)n2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is AZEQBMXYRBELJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-9-19-12(8-13(24)20-9)23-7-4-11(21-23)14(25)22-5-2-10(3-6-22)15(16,17)18/h4,7-8,10H,2-3,5-6H2,1H3,(H,19,20,24).
What are the key properties of 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 355.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137129858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).