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

C16H17F3N4O2 — CID 126739515

IUPAC4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
SMILESCc1cc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)cn2)[nH]c(=O)c1
InChIInChI=1S/C16H17F3N4O2/c1-10-6-13(21-14(24)7-10)23-9-11(8-20-23)15(25)22-4-2-12(3-5-22)16(17,18)19/h6-9,12H,2-5H2,1H3,(H,21,24)
InChIKeyCNNXJNHKDNCPSR-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.28
Rot. Bonds2

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

4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one (PubChem CID 126739515) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
PubChem CID126739515
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
SMILESCc1cc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)cn2)[nH]c(=O)c1
InChIInChI=1S/C16H17F3N4O2/c1-10-6-13(21-14(24)7-10)23-9-11(8-20-23)15(25)22-4-2-12(3-5-22)16(17,18)19/h6-9,12H,2-5H2,1H3,(H,21,24)
InChIKeyCNNXJNHKDNCPSR-UHFFFAOYSA-N
XLogP2.28
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
US10118930, Example 103
CID 137018571
4-methyl-2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049046
4-methyl-2-[5-methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049174
2-[4-[4-(2,2,2-Trifluoroethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049273
4-methyl-2-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049308
2-[4-[4-(Trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137129857
4-methyl-2-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137129916
4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 53561748
N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251734

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one (CID 126739515) is 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one is Cc1cc(-n2cc(C(=O)N3CCC(C(F)(F)F)CC3)cn2)[nH]c(=O)c1.
What is the InChIKey of 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one?
The InChIKey is CNNXJNHKDNCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10-6-13(21-14(24)7-10)23-9-11(8-20-23)15(25)22-4-2-12(3-5-22)16(17,18)19/h6-9,12H,2-5H2,1H3,(H,21,24).
What are the key properties of 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one?
4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one has a molecular weight of 354.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 126739515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).