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

C16H18F3N5O2 — CID 126750647

IUPAC6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
SMILESCc1cc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)nc(=O)[nH]1
InChIInChI=1S/C16H18F3N5O2/c1-9-7-13(22-15(26)21-9)24-10(2)12(8-20-24)14(25)23-5-3-11(4-6-23)16(17,18)19/h7-8,11H,3-6H2,1-2H3,(H,21,22,26)
InChIKeyHLIMSLMOXMVCJU-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.99
Rot. Bonds2

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

6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one (PubChem CID 126750647) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
PubChem CID126750647
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one
SMILESCc1cc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)nc(=O)[nH]1
InChIInChI=1S/C16H18F3N5O2/c1-9-7-13(22-15(26)21-9)24-10(2)12(8-20-24)14(25)23-5-3-11(4-6-23)16(17,18)19/h7-8,11H,3-6H2,1-2H3,(H,21,22,26)
InChIKeyHLIMSLMOXMVCJU-UHFFFAOYSA-N
XLogP1.99
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.99
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-[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
4-methyl-6-[3-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridin-2-one
CID 126739448
N-cyclopentyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136035916
2-(4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1H-py
CID 136245321
US10118930, Example 103
CID 137018571
2-[5-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049025
N,N,5-trimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxamide
CID 137049038
N-ethyl-5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-N-propylpyrazole-4-carboxamide
CID 137049040
2-[5-(difluoromethyl)-4-(morpholine-4-carbonyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137049043
4-methyl-2-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049046

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one (CID 126750647) is 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one is Cc1cc(-n2ncc(C(=O)N3CCC(C(F)(F)F)CC3)c2C)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one?
The InChIKey is HLIMSLMOXMVCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-7-13(22-15(26)21-9)24-10(2)12(8-20-24)14(25)23-5-3-11(4-6-23)16(17,18)19/h7-8,11H,3-6H2,1-2H3,(H,21,22,26).
What are the key properties of 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one?
6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one has a molecular weight of 369.35 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[5-methyl-4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 126750647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).