4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one

C18H22F3N5O2 — CID 137049084

IUPAC4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C(C)C)n1
InChIInChI=1S/C18H22F3N5O2/c1-10(2)15-13(9-22-26(15)17-23-11(3)8-14(27)24-17)16(28)25-6-4-12(5-7-25)18(19,20)21/h8-10,12H,4-7H2,1-3H3,(H,23,24,27)
InChIKeyLMZZGXSPMCYLBK-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.80
Rot. Bonds3

About 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137049084) has the molecular formula C18H22F3N5O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137049084
Molecular FormulaC18H22F3N5O2
Molecular Weight397.40 g/mol
Exact Mass397.17
IUPAC Name4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C(C)C)n1
InChIInChI=1S/C18H22F3N5O2/c1-10(2)15-13(9-22-26(15)17-23-11(3)8-14(27)24-17)16(28)25-6-4-12(5-7-25)18(19,20)21/h8-10,12H,4-7H2,1-3H3,(H,23,24,27)
InChIKeyLMZZGXSPMCYLBK-UHFFFAOYSA-N
XLogP2.80
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739421
6-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 126739517
2-Ethyl-2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049259
(2S)-2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049441
2-[4-(6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049517
2-[5-Methyl-4-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049565
2-[4-Fluoro-1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049570
2-[5-Methyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049584
2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]butanenitrile
CID 137049660
2-[5-Methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049663
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
CID 126750647

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137049084) is 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C(C)C)n1.
What is the InChIKey of 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LMZZGXSPMCYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O2/c1-10(2)15-13(9-22-26(15)17-23-11(3)8-14(27)24-17)16(28)25-6-4-12(5-7-25)18(19,20)21/h8-10,12H,4-7H2,1-3H3,(H,23,24,27).
What are the key properties of 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 397.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-propan-2-yl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).