3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C15H16F3N5O2 — CID 126943410

IUPAC3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)12-7-13(24)23(9-19-12)8-10-2-5-22(6-3-10)14(25)11-1-4-20-21-11/h1,4,7,9-10H,2-3,5-6,8H2,(H,20,21)
InChIKeyCZHPTVGAGSSRRG-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.54
Rot. Bonds3

About 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943410) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943410
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)12-7-13(24)23(9-19-12)8-10-2-5-22(6-3-10)14(25)11-1-4-20-21-11/h1,4,7,9-10H,2-3,5-6,8H2,(H,20,21)
InChIKeyCZHPTVGAGSSRRG-UHFFFAOYSA-N
XLogP1.54
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674583
2-methyl-4-[3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137129858
1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42959182
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97588991
4-fluoro-4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90809350
1H-pyrazol-5-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40150271
1H-pyrazol-5-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40150272
(4-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 55178793
(4-amino-1H-pyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65533199
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
CID 71974049
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 71980852
N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998432

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943410) is 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is O=C(c1ccn[nH]1)N1CCC(Cn2cnc(C(F)(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is CZHPTVGAGSSRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c16-15(17,18)12-7-13(24)23(9-19-12)8-10-2-5-22(6-3-10)14(25)11-1-4-20-21-11/h1,4,7,9-10H,2-3,5-6,8H2,(H,20,21).
What are the key properties of 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 355.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).